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2039-86-3 | Benzene, 1-bromo-3-ethenyl-
CAS No: 2039-86-3 Catalog No: AG00297D MDL No:MFCD00000088
Product Description
Catalog Number:
AG00297D
Chemical Name:
Benzene, 1-bromo-3-ethenyl-
CAS Number:
2039-86-3
Molecular Formula:
C8H7Br
Molecular Weight:
183.0452
MDL Number:
MFCD00000088
IUPAC Name:
1-bromo-3-ethenylbenzene
InChI:
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChI Key:
KQJQPCJDKBKSLV-UHFFFAOYSA-N
SMILES:
C=Cc1cccc(c1)Br
EC Number:
218-025-2
UNII:
6XE3SF241Y
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.973g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.048g/mol
Monoisotopic Mass:
181.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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