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181132-79-6 | Benzoyl chloride, 4-(3-thienyl)-
CAS No: 181132-79-6 Catalog No: AG0022OS MDL No:
Product Description
Catalog Number:
AG0022OS
Chemical Name:
Benzoyl chloride, 4-(3-thienyl)-
CAS Number:
181132-79-6
Molecular Formula:
C11H7ClOS
Molecular Weight:
222.6907
IUPAC Name:
4-thiophen-3-ylbenzoyl chloride
InChI:
InChI=1S/C11H7ClOS/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H
InChI Key:
UKIGBJXSLVJWCR-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)c1cscc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.686g/mol
Monoisotopic Mass:
221.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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