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89479-34-5 | 3-Thiophenecarboxylic acid, 4-(2-chlorobenzoyl)-
CAS No: 89479-34-5 Catalog No: AG00422Z MDL No:
Product Description
Catalog Number:
AG00422Z
Chemical Name:
3-Thiophenecarboxylic acid, 4-(2-chlorobenzoyl)-
CAS Number:
89479-34-5
Molecular Formula:
C12H7ClO3S
Molecular Weight:
266.7002
IUPAC Name:
4-(2-chlorobenzoyl)thiophene-3-carboxylic acid
InChI:
InChI=1S/C12H7ClO3S/c13-10-4-2-1-3-7(10)11(14)8-5-17-6-9(8)12(15)16/h1-6H,(H,15,16)
InChI Key:
RFPNRRIPEUQONT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cscc1C(=O)c1ccccc1Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.695g/mol
Monoisotopic Mass:
265.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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