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102000-73-7 | Benzonitrile, 3-bromo-4-nitro-
CAS No: 102000-73-7 Catalog No: AG00069O MDL No:MFCD09701201
Product Description
Catalog Number:
AG00069O
Chemical Name:
Benzonitrile, 3-bromo-4-nitro-
CAS Number:
102000-73-7
Molecular Formula:
C7H3BrN2O2
Molecular Weight:
227.0149
MDL Number:
MFCD09701201
IUPAC Name:
3-bromo-4-nitrobenzonitrile
InChI:
InChI=1S/C7H3BrN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
InChI Key:
RNDBDEZITHKFEU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.938g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.017g/mol
Monoisotopic Mass:
225.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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