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1369251-28-4 | 5-Thiazolecarbonitrile, 2-(4-chlorophenyl)-
CAS No: 1369251-28-4 Catalog No: AG0012K8 MDL No:MFCD23135706
Product Description
Catalog Number:
AG0012K8
Chemical Name:
5-Thiazolecarbonitrile, 2-(4-chlorophenyl)-
CAS Number:
1369251-28-4
Molecular Formula:
C10H5ClN2S
Molecular Weight:
220.6781
MDL Number:
MFCD23135706
IUPAC Name:
2-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile
InChI:
InChI=1S/C10H5ClN2S/c11-8-3-1-7(2-4-8)10-13-6-9(5-12)14-10/h1-4,6H
InChI Key:
XHMCFGBBLUCMJE-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(s1)c1ccc(cc1)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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