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306934-93-0 | Benzo[b]thiophene-3-methanol, 5-chloro-
CAS No: 306934-93-0 Catalog No: AG0030U6 MDL No:MFCD02677741
Product Description
Catalog Number:
AG0030U6
Chemical Name:
Benzo[b]thiophene-3-methanol, 5-chloro-
CAS Number:
306934-93-0
Molecular Formula:
C9H7ClOS
Molecular Weight:
198.6693
MDL Number:
MFCD02677741
IUPAC Name:
(5-chloro-1-benzothiophen-3-yl)methanol
InChI:
InChI=1S/C9H7ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
InChI Key:
PUSCUZZEDIEHOQ-UHFFFAOYSA-N
SMILES:
OCc1csc2c1cc(Cl)cc2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.991g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.664g/mol
Monoisotopic Mass:
197.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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