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18015-03-7 | Benzoic acid, 4-[(2-thienylmethylene)amino]-
CAS No: 18015-03-7 Catalog No: AG0021QW MDL No:
Product Description
Catalog Number:
AG0021QW
Chemical Name:
Benzoic acid, 4-[(2-thienylmethylene)amino]-
CAS Number:
18015-03-7
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
IUPAC Name:
4-(thiophen-2-ylmethylideneamino)benzoic acid
InChI:
InChI=1S/C12H9NO2S/c14-12(15)9-3-5-10(6-4-9)13-8-11-2-1-7-16-11/h1-8H,(H,14,15)
InChI Key:
NFKOTVHQEVUACX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N=Cc1cccs1
NSC Number:
209074
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.269g/mol
Monoisotopic Mass:
231.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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