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203201-43-8 | Benzonitrile, 2-bromo-3-hydroxy-4-nitro-
CAS No: 203201-43-8 Catalog No: AG0028QE MDL No:
Product Description
Catalog Number:
AG0028QE
Chemical Name:
Benzonitrile, 2-bromo-3-hydroxy-4-nitro-
CAS Number:
203201-43-8
Molecular Formula:
C7H3BrN2O3
Molecular Weight:
243.0143
IUPAC Name:
2-bromo-3-hydroxy-4-nitrobenzonitrile
InChI:
InChI=1S/C7H3BrN2O3/c8-6-4(3-9)1-2-5(7(6)11)10(12)13/h1-2,11H
InChI Key:
GNXIUETVKJPRHQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1Br)O)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.933g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.016g/mol
Monoisotopic Mass:
241.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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