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Home > Thiazole > 1343371-95-8
1343371-95-8 | 4-(1,3-thiazol-4-yl)benzonitrile
CAS No: 1343371-95-8 Catalog No: AG019U91 MDL No:MFCD18263453
Product Description
Catalog Number:
AG019U91
Chemical Name:
4-(1,3-thiazol-4-yl)benzonitrile
CAS Number:
1343371-95-8
Molecular Formula:
C10H6N2S
Molecular Weight:
186.2330
MDL Number:
MFCD18263453
IUPAC Name:
4-(1,3-thiazol-4-yl)benzonitrile
InChI:
InChI=1S/C10H6N2S/c11-5-8-1-3-9(4-2-8)10-6-13-7-12-10/h1-4,6-7H
InChI Key:
BIWAJQQHDTXDHM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cscn1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.232g/mol
Monoisotopic Mass:
186.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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