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1379336-26-1 | 4-Thiazolecarbonitrile, 2-chloro-5-methyl-
CAS No: 1379336-26-1 Catalog No: AG0017NW MDL No:
Product Description
Catalog Number:
AG0017NW
Chemical Name:
4-Thiazolecarbonitrile, 2-chloro-5-methyl-
CAS Number:
1379336-26-1
Molecular Formula:
C5H3ClN2S
Molecular Weight:
158.6087
IUPAC Name:
2-chloro-5-methyl-1,3-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H3ClN2S/c1-3-4(2-7)8-5(6)9-3/h1H3
InChI Key:
YGGCAYVGCYRFFL-UHFFFAOYSA-N
SMILES:
N#Cc1nc(sc1C)Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.971g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.603g/mol
Monoisotopic Mass:
157.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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