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1624260-45-2 | Benzo[b]thiophene-2-carboxylic acid, 6-chloro-3-methoxy-
CAS No: 1624260-45-2 Catalog No: AG001T44 MDL No:MFCD28101727
Product Description
Catalog Number:
AG001T44
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 6-chloro-3-methoxy-
CAS Number:
1624260-45-2
Molecular Formula:
C10H7ClO3S
Molecular Weight:
242.6788
MDL Number:
MFCD28101727
IUPAC Name:
6-chloro-3-methoxy-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H7ClO3S/c1-14-8-6-3-2-5(11)4-7(6)15-9(8)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
OZAHJNXWNQEYMF-UHFFFAOYSA-N
SMILES:
COc1c(sc2c1ccc(c2)Cl)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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