Home Nitriles 4-amino-3-methylbenzene-1,2-dicarbonitrile

4-amino-3-methylbenzene-1,2-dicarbonitrile

CAS No.:
1018975-31-9
Catalog Number:
AG01C3MN
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
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Product Description
Catalog Number:
AG01C3MN
Chemical Name:
4-amino-3-methylbenzene-1,2-dicarbonitrile
CAS Number:
1018975-31-9
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD20720874
IUPAC Name:
4-amino-3-methylbenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C9H7N3/c1-6-8(5-11)7(4-10)2-3-9(6)12/h2-3H,12H2,1H3
InChI Key:
ICCOBRGVXLAZRU-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)ccc(c1C)N
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties