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10169-50-3 | Benzoic acid, 5-bromo-2-hydroxy-3-nitro-
CAS No: 10169-50-3 Catalog No: AG00057W MDL No:MFCD00463872
Product Description
Catalog Number:
AG00057W
Chemical Name:
Benzoic acid, 5-bromo-2-hydroxy-3-nitro-
CAS Number:
10169-50-3
Molecular Formula:
C7H4BrNO5
Molecular Weight:
262.0144
MDL Number:
MFCD00463872
IUPAC Name:
5-bromo-2-hydroxy-3-nitrobenzoic acid
InChI:
InChI=1S/C7H4BrNO5/c8-3-1-4(7(11)12)6(10)5(2-3)9(13)14/h1-2,10H,(H,11,12)
InChI Key:
JNYJGSJKQMVWRL-UHFFFAOYSA-N
SMILES:
Brc1cc([N+](=O)[O-])c(c(c1)C(=O)O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.927g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.015g/mol
Monoisotopic Mass:
260.927g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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