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6307-83-1 | 3-Bromo-5-Nitrobenzoic Acid
CAS No: 6307-83-1 Catalog No: AG0033MJ MDL No:MFCD00100098
Product Description
Catalog Number:
AG0033MJ
Chemical Name:
3-Bromo-5-Nitrobenzoic Acid
CAS Number:
6307-83-1
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
MDL Number:
MFCD00100098
IUPAC Name:
3-bromo-5-nitrobenzoic acid
InChI:
InChI=1S/C7H4BrNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
InChI Key:
AXRKIZCFYZBBPX-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)N(=O)=O)C(=O)O
NSC Number:
44288
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:
2.3
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