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181283-33-0 | Benzo[b]thiophene-2-carboxylic acid, 3-amino-7-chloro-, methyl ester
CAS No: 181283-33-0 Catalog No: AG0022SG MDL No:
Product Description
Catalog Number:
AG0022SG
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 3-amino-7-chloro-, methyl ester
CAS Number:
181283-33-0
Molecular Formula:
C10H8ClNO2S
Molecular Weight:
241.6940
IUPAC Name:
methyl 3-amino-7-chloro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H8ClNO2S/c1-14-10(13)9-7(12)5-3-2-4-6(11)8(5)15-9/h2-4H,12H2,1H3
InChI Key:
KNJZZJLVDYDEGL-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1N)cccc2Cl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.689g/mol
Monoisotopic Mass:
240.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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