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1828-58-6 | Benzonitrile, 3-bromo-4-hydroxy-5-nitro-
CAS No: 1828-58-6 Catalog No: AG00245M MDL No:
Product Description
Catalog Number:
AG00245M
Chemical Name:
Benzonitrile, 3-bromo-4-hydroxy-5-nitro-
CAS Number:
1828-58-6
Molecular Formula:
C7H3BrN2O3
Molecular Weight:
243.0143
IUPAC Name:
3-bromo-4-hydroxy-5-nitrobenzonitrile
InChI:
InChI=1S/C7H3BrN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
InChI Key:
XLWPYAZLXACFKX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c(c(c1)[N+](=O)[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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