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13161-29-0 | Benzene, 1-(2-bromoethenyl)-4-nitro-
CAS No: 13161-29-0 Catalog No: AG000ZHF MDL No:MFCD00156390
Product Description
Catalog Number:
AG000ZHF
Chemical Name:
Benzene, 1-(2-bromoethenyl)-4-nitro-
CAS Number:
13161-29-0
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
MDL Number:
MFCD00156390
IUPAC Name:
1-(2-bromoethenyl)-4-nitrobenzene
InChI:
InChI=1S/C8H6BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-6H
InChI Key:
WUOJWZYDGWRQLI-UHFFFAOYSA-N
SMILES:
BrC=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.045g/mol
Monoisotopic Mass:
226.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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