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160133-75-5 | 2-Thiophenecarboxylic acid, 3-amino-4-(4-methylphenyl)-, methyl ester
CAS No: 160133-75-5 Catalog No: AG001RP1 MDL No:MFCD04116501
Product Description
Catalog Number:
AG001RP1
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-4-(4-methylphenyl)-, methyl ester
CAS Number:
160133-75-5
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD04116501
IUPAC Name:
methyl 3-amino-4-(4-methylphenyl)thiophene-2-carboxylate
InChI:
InChI=1S/C13H13NO2S/c1-8-3-5-9(6-4-8)10-7-17-12(11(10)14)13(15)16-2/h3-7H,14H2,1-2H3
InChI Key:
UJJDUVOANRRUHL-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1N)c1ccc(cc1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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