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149489-14-5

149489-14-5 | Benzonitrile, 2,4-difluoro-3-formyl-

CAS No: 149489-14-5 Catalog No: AG001LQQ MDL No:MFCD09907858

Product Description

Catalog Number:
AG001LQQ
Chemical Name:
Benzonitrile, 2,4-difluoro-3-formyl-
CAS Number:
149489-14-5
Molecular Formula:
C8H3F2NO
Molecular Weight:
167.1123
MDL Number:
MFCD09907858
IUPAC Name:
2,4-difluoro-3-formylbenzonitrile
InChI:
InChI=1S/C8H3F2NO/c9-7-2-1-5(3-11)8(10)6(7)4-12/h1-2,4H
InChI Key:
SONFDGCKTXJMSD-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)ccc(c1F)C#N

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.018g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.115g/mol
Monoisotopic Mass:
167.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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