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310390-60-4 | Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methoxy-
CAS No: 310390-60-4 Catalog No: AG0031Y9 MDL No:MFCD00448910
Product Description
Catalog Number:
AG0031Y9
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methoxy-
CAS Number:
310390-60-4
Molecular Formula:
C10H7ClO3S
Molecular Weight:
242.6788
MDL Number:
MFCD00448910
IUPAC Name:
3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H7ClO3S/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
LEAIEMOBUHEQNT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(c2Cl)C(=O)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.673g/mol
Monoisotopic Mass:
241.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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