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1496495-94-3 | 3-ISOPROPYLISOTHIAZOLE-4-CARBONITRILE
CAS No: 1496495-94-3 Catalog No: AG01DKOV MDL No:
Product Description
Catalog Number:
AG01DKOV
Chemical Name:
3-ISOPROPYLISOTHIAZOLE-4-CARBONITRILE
CAS Number:
1496495-94-3
IUPAC Name:
3-propan-2-yl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C7H8N2S/c1-5(2)7-6(3-8)4-10-9-7/h4-5H,1-2H3
InChI Key:
BIDRLFVDIOKFOZ-UHFFFAOYSA-N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.215g/mol
Monoisotopic Mass:
152.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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