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290326-23-7 | Benzoic acid, 4-(5-chloro-2-thienyl)-, sodium salt (1:1)
CAS No: 290326-23-7 Catalog No: AG002V9X MDL No:
Product Description
Catalog Number:
AG002V9X
Chemical Name:
Benzoic acid, 4-(5-chloro-2-thienyl)-, sodium salt (1:1)
CAS Number:
290326-23-7
Molecular Formula:
C11H6ClNaO2S
Molecular Weight:
260.6719
IUPAC Name:
4-(5-chlorothiophen-2-yl)benzoic acid
InChI:
InChI=1S/C11H7ClO2S/c12-10-6-5-9(15-10)7-1-3-8(4-2-7)11(13)14/h1-6H,(H,13,14)
InChI Key:
HHYWNBOMTAPIOO-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccc(cc1)c1ccc(s1)Cl.[Na+]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.685g/mol
Monoisotopic Mass:
237.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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