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Home > Nitro Compounds > 7499-72-1
7499-72-1 | Benzoicacid, 4-nitro-2-(2-thienylcarbonyl)-
CAS No: 7499-72-1 Catalog No: AG005RM7 MDL No:
Product Description
Catalog Number:
AG005RM7
Chemical Name:
Benzoicacid, 4-nitro-2-(2-thienylcarbonyl)-
CAS Number:
7499-72-1
Molecular Formula:
C12H7NO5S
Molecular Weight:
277.2527
IUPAC Name:
4-nitro-2-(thiophene-2-carbonyl)benzoic acid
InChI:
InChI=1S/C12H7NO5S/c14-11(10-2-1-5-19-10)9-6-7(13(17)18)3-4-8(9)12(15)16/h1-6H,(H,15,16)
InChI Key:
SHNVXCUVZRYCAM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C(=O)c1cccs1)[N+](=O)[O-]
NSC Number:
407692
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.004g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.25g/mol
Monoisotopic Mass:
277.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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