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2114-36-5 | Benzene, (1-bromopropyl)-
CAS No: 2114-36-5 Catalog No: AG002LBX MDL No:MFCD00055549
Product Description
Catalog Number:
AG002LBX
Chemical Name:
Benzene, (1-bromopropyl)-
CAS Number:
2114-36-5
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
MDL Number:
MFCD00055549
IUPAC Name:
1-bromopropylbenzene
InChI:
InChI=1S/C9H11Br/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI Key:
XJSUFXFSUACKAT-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)Br
Properties
Complexity:
84.7
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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