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889672-75-7 | Benzonitrile,4-(2-chloro-5-thiazolyl)-
CAS No: 889672-75-7 Catalog No: AG0045Y7 MDL No:MFCD11865091
Product Description
Catalog Number:
AG0045Y7
Chemical Name:
Benzonitrile,4-(2-chloro-5-thiazolyl)-
CAS Number:
889672-75-7
Molecular Formula:
C10H5ClN2S
Molecular Weight:
220.6781
MDL Number:
MFCD11865091
IUPAC Name:
4-(2-chloro-1,3-thiazol-5-yl)benzonitrile
InChI:
InChI=1S/C10H5ClN2S/c11-10-13-6-9(14-10)8-3-1-7(5-12)2-4-8/h1-4,6H
InChI Key:
WSGKOCQBWIRDOE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cnc(s1)Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.674g/mol
Monoisotopic Mass:
219.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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