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113899-36-8 | 2-Thiophenecarboxylic acid, 3-amino-5-nitro-, methyl ester
CAS No: 113899-36-8 Catalog No: AG000A0X MDL No:MFCD04110197
Product Description
Catalog Number:
AG000A0X
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-5-nitro-, methyl ester
CAS Number:
113899-36-8
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
MDL Number:
MFCD04110197
IUPAC Name:
methyl 3-amino-5-nitrothiophene-2-carboxylate
InChI:
InChI=1S/C6H6N2O4S/c1-12-6(9)5-3(7)2-4(13-5)8(10)11/h2H,7H2,1H3
InChI Key:
WUOQQUBKJDJZJY-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1N)[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.184g/mol
Monoisotopic Mass:
202.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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