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Home > Nitro Compounds > 1370371-72-4
1370371-72-4 | 2-MERCAPTO-3-NITROBENZOIC ACID
CAS No: 1370371-72-4 Catalog No: AG01BT79 MDL No:MFCD22481411
Product Description
Catalog Number:
AG01BT79
Chemical Name:
2-MERCAPTO-3-NITROBENZOIC ACID
CAS Number:
1370371-72-4
Molecular Formula:
C7H5NO4S
Molecular Weight:
199.1839
MDL Number:
MFCD22481411
IUPAC Name:
3-nitro-2-sulfanylbenzoic acid
InChI:
InChI=1S/C7H5NO4S/c9-7(10)4-2-1-3-5(6(4)13)8(11)12/h1-3,13H,(H,9,10)
InChI Key:
AIGZYDXGPABQPO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1S)[N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.18g/mol
Monoisotopic Mass:
198.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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