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Home > Nitro Compounds > 1549014-66-5
1549014-66-5 | 2-(methylsulfonyl)-5-nitrobenzoic acid
CAS No: 1549014-66-5 Catalog No: AG01DVMG MDL No:MFCD26024186
Product Description
Catalog Number:
AG01DVMG
Chemical Name:
2-(methylsulfonyl)-5-nitrobenzoic acid
CAS Number:
1549014-66-5
Molecular Formula:
C8H7NO6S
Molecular Weight:
245.2093
MDL Number:
MFCD26024186
IUPAC Name:
2-methylsulfonyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO6S/c1-16(14,15)7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
YJOOIPYEUIHVML-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.999g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.205g/mol
Monoisotopic Mass:
244.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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