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16426-64-5 | Benzoic acid, 2-bromo-4-nitro-
CAS No: 16426-64-5 Catalog No: AG001UR7 MDL No:MFCD00234252
Product Description
Catalog Number:
AG001UR7
Chemical Name:
Benzoic acid, 2-bromo-4-nitro-
CAS Number:
16426-64-5
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
MDL Number:
MFCD00234252
IUPAC Name:
2-bromo-4-nitrobenzoic acid
InChI:
InChI=1S/C7H4BrNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:
CEXGTXNIIFSPSF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Br)[N+](=O)[O-]
NSC Number:
227965
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.932g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.016g/mol
Monoisotopic Mass:
244.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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