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137091-49-7

137091-49-7 | Benzoic acid, 5-[(aminocarbonyl)thio]-2-nitro-

CAS No: 137091-49-7 Catalog No: AG0012U0 MDL No:

Product Description

Catalog Number:
AG0012U0
Chemical Name:
Benzoic acid, 5-[(aminocarbonyl)thio]-2-nitro-
CAS Number:
137091-49-7
Molecular Formula:
C8H6N2O5S
Molecular Weight:
242.2086
IUPAC Name:
5-carbamothioyl-2-nitrobenzoic acid
InChI:
InChI=1S/C8H6N2O4S/c9-7(15)4-1-2-6(10(13)14)5(3-4)8(11)12/h1-3H,(H2,9,15)(H,11,12)
InChI Key:
FOXGLOGBTKVYIV-UHFFFAOYSA-N
SMILES:
NC(=O)Sc1ccc(c(c1)C(=O)O)[N+](=O)[O-]

Properties

Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.206g/mol
Monoisotopic Mass:
226.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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