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13633-25-5 | Benzene, (4-bromobutyl)-
CAS No: 13633-25-5 Catalog No: AG0011NF MDL No:MFCD00154988
Product Description
Catalog Number:
AG0011NF
Chemical Name:
Benzene, (4-bromobutyl)-
CAS Number:
13633-25-5
Molecular Formula:
C10H13Br
Molecular Weight:
213.1142
MDL Number:
MFCD00154988
IUPAC Name:
4-bromobutylbenzene
InChI:
InChI=1S/C10H13Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
XPBQQAHIVODAIC-UHFFFAOYSA-N
SMILES:
BrCCCCc1ccccc1
NSC Number:
89816
Properties
Complexity:
84.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.118g/mol
Monoisotopic Mass:
212.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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