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1151512-19-4 | Benzoyl chloride, 4-(2-thienylmethyl)-
CAS No: 1151512-19-4 Catalog No: AG000GBU MDL No:MFCD12198117
Product Description
Catalog Number:
AG000GBU
Chemical Name:
Benzoyl chloride, 4-(2-thienylmethyl)-
CAS Number:
1151512-19-4
Molecular Formula:
C12H9ClOS
Molecular Weight:
236.7173
MDL Number:
MFCD12198117
IUPAC Name:
4-(thiophen-2-ylmethyl)benzoyl chloride
InChI:
InChI=1S/C12H9ClOS/c13-12(14)10-5-3-9(4-6-10)8-11-2-1-7-15-11/h1-7H,8H2
InChI Key:
AOHWXUBTRWZCOZ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)Cc1cccs1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.713g/mol
Monoisotopic Mass:
236.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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