Home Nitriles Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI)

Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI)

CAS No.:
701264-00-8
Catalog Number:
AG00FH9G
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
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Product Description
Catalog Number:
AG00FH9G
Chemical Name:
Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI)
CAS Number:
701264-00-8
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
MDL Number:
MFCD09943431
IUPAC Name:
4-(aminomethyl)-3-fluorobenzonitrile
InChI:
InChI=1S/C8H7FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,5,11H2
InChI Key:
YOPZVUBFUQTUKA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)CN
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.156g/mol
Monoisotopic Mass:
150.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties