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1026241-99-5

1026241-99-5 | Benzo[b]thiophene-2-carboxylic acid, 3-amino-5-chloro-, methyl ester

CAS No: 1026241-99-5 Catalog No: AG0007YA MDL No:MFCD13689054

Product Description

Catalog Number:
AG0007YA
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 3-amino-5-chloro-, methyl ester
CAS Number:
1026241-99-5
Molecular Formula:
C10H8ClNO2S
Molecular Weight:
241.6940
MDL Number:
MFCD13689054
IUPAC Name:
methyl 3-amino-5-chloro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H8ClNO2S/c1-14-10(13)9-8(12)6-4-5(11)2-3-7(6)15-9/h2-4H,12H2,1H3
InChI Key:
CFYACBCHHBWDOO-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1N)cc(cc2)Cl

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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