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130219-79-3 | Benzo[b]thiophene, 3-chloro-4-methyl-
CAS No: 130219-79-3 Catalog No: AG000U51 MDL No:
Product Description
Catalog Number:
AG000U51
Chemical Name:
Benzo[b]thiophene, 3-chloro-4-methyl-
CAS Number:
130219-79-3
Molecular Formula:
C9H7ClS
Molecular Weight:
182.6699
IUPAC Name:
3-chloro-4-methyl-1-benzothiophene
InChI:
InChI=1S/C9H7ClS/c1-6-3-2-4-8-9(6)7(10)5-11-8/h2-5H,1H3
InChI Key:
XLRUUTMTDMIIBH-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1c(Cl)cs2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.665g/mol
Monoisotopic Mass:
181.996g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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