200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1255871-11-4
1255871-11-4 | Benzonitrile, 4-(5-formyl-3-pyridinyl)-
CAS No: 1255871-11-4 Catalog No: AG000NX7 MDL No:MFCD18085127
Product Description
Catalog Number:
AG000NX7
Chemical Name:
Benzonitrile, 4-(5-formyl-3-pyridinyl)-
CAS Number:
1255871-11-4
Molecular Formula:
C13H8N2O
Molecular Weight:
208.2154
MDL Number:
MFCD18085127
IUPAC Name:
4-(5-formylpyridin-3-yl)benzonitrile
InChI:
InChI=1S/C13H8N2O/c14-6-10-1-3-12(4-2-10)13-5-11(9-16)7-15-8-13/h1-5,7-9H
InChI Key:
QYHAIROWTHDPEY-UHFFFAOYSA-N
SMILES:
O=Cc1cncc(c1)c1ccc(cc1)C#N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.22g/mol
Monoisotopic Mass:
208.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.