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80621-56-3 | Methyl 3-amino-4-nitrothiophene-2-carboxylate
CAS No: 80621-56-3 Catalog No: AG005KEG MDL No:MFCD22381066
Product Description
Catalog Number:
AG005KEG
Chemical Name:
Methyl 3-amino-4-nitrothiophene-2-carboxylate
CAS Number:
80621-56-3
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
MDL Number:
MFCD22381066
IUPAC Name:
methyl 3-amino-4-nitrothiophene-2-carboxylate
InChI:
InChI=1S/C6H6N2O4S/c1-12-6(9)5-4(7)3(2-13-5)8(10)11/h2H,7H2,1H3
InChI Key:
DMEXFZJNWMIHRA-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1N)[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:
1.5
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