Home Nitriles Benzonitrile, 3-acetyl-4-amino- (9CI)

Benzonitrile, 3-acetyl-4-amino- (9CI)

CAS No.:
56079-07-3
Catalog Number:
AG00DH9S
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DH9S
Chemical Name:
Benzonitrile, 3-acetyl-4-amino- (9CI)
CAS Number:
56079-07-3
MDL Number:
MFCD18826299
IUPAC Name:
3-acetyl-4-aminobenzonitrile
InChI:
InChI=1S/C9H8N2O/c1-6(12)8-4-7(5-10)2-3-9(8)11/h2-4H,11H2,1H3
InChI Key:
NWFYRBPLXDMNRN-UHFFFAOYSA-N
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties