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127426-26-0 | 4-Thiazolecarbonitrile, 2,5-dichloro-
CAS No: 127426-26-0 Catalog No: AG000X2R MDL No:MFCD16653247
Product Description
Catalog Number:
AG000X2R
Chemical Name:
4-Thiazolecarbonitrile, 2,5-dichloro-
CAS Number:
127426-26-0
Molecular Formula:
C4Cl2N2S
Molecular Weight:
179.0272
MDL Number:
MFCD16653247
IUPAC Name:
2,5-dichloro-1,3-thiazole-4-carbonitrile
InChI:
InChI=1S/C4Cl2N2S/c5-3-2(1-7)8-4(6)9-3
InChI Key:
XDJYKTMDZSUEEP-UHFFFAOYSA-N
SMILES:
N#Cc1nc(sc1Cl)Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.916g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.018g/mol
Monoisotopic Mass:
177.916g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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