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1186127-13-8 | 2-(Oxazol-5-yl)benzonitrile
CAS No: 1186127-13-8 Catalog No: AG003EY7 MDL No:MFCD18375279
Product Description
Catalog Number:
AG003EY7
Chemical Name:
2-(Oxazol-5-yl)benzonitrile
CAS Number:
1186127-13-8
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD18375279
IUPAC Name:
2-(1,3-oxazol-5-yl)benzonitrile
InChI:
InChI=1S/C10H6N2O/c11-5-8-3-1-2-4-9(8)10-6-12-7-13-10/h1-4,6-7H
InChI Key:
XWKIXYMHMGBOMI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1cnco1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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