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306935-11-5 | 2-Thiophenecarboxylic acid, 3-[[3-(chloromethyl)benzoyl]amino]-, methyl ester
CAS No: 306935-11-5 Catalog No: AG0030V5 MDL No:
Product Description
Catalog Number:
AG0030V5
Chemical Name:
2-Thiophenecarboxylic acid, 3-[[3-(chloromethyl)benzoyl]amino]-, methyl ester
CAS Number:
306935-11-5
Molecular Formula:
C14H12ClNO3S
Molecular Weight:
309.7680
IUPAC Name:
methyl 3-[[3-(chloromethyl)benzoyl]amino]thiophene-2-carboxylate
InChI:
InChI=1S/C14H12ClNO3S/c1-19-14(18)12-11(5-6-20-12)16-13(17)10-4-2-3-9(7-10)8-15/h2-7H,8H2,1H3,(H,16,17)
InChI Key:
PTDJCZIESZVKBW-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)C(=O)Nc1ccsc1C(=O)OC
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.764g/mol
Monoisotopic Mass:
309.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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