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637-59-2 | (3-Bromopropyl)benzene
CAS No: 637-59-2 Catalog No: AG003E4F MDL No:MFCD00000257
Product Description
Catalog Number:
AG003E4F
Chemical Name:
(3-Bromopropyl)benzene
CAS Number:
637-59-2
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
MDL Number:
MFCD00000257
IUPAC Name:
3-bromopropylbenzene
InChI:
InChI=1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key:
XMZQWZJMTBCUFT-UHFFFAOYSA-N
SMILES:
BrCCCc1ccccc1
EC Number:
211-294-7
UNII:
6VX623QN9V
NSC Number:
133438
Properties
Complexity:
74.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.091g/mol
Monoisotopic Mass:
198.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides. | Journal of the American Chemical Society 20120411 |
| Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495). | ChemMedChem 20111104 |
| Improved tricyclic inhibitors of trypanothione reductase by screening and chemical synthesis. | ChemMedChem 20090803 |
| Synthesis of symmetrical organic carbonates via significantly enhanced alkylation of metal carbonates with alkyl halides/sulfonates in ionic liquid. | The Journal of organic chemistry 20051223 |
| Room-temperature Negishi cross-coupling of unactivated alkyl bromides with alkyl organozinc reagents utilizing a Pd/N-heterocyclic carbene catalyst. | The Journal of organic chemistry 20051014 |
| Mono- and dialkylations of pyrrole at C2 and C5 positions by nucleophilic substitution reaction in ionic liquid. | Organic letters 20050331 |
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