Home Nitriles 2-Methyl-2-(3-nitrophenyl)propanenitrile

2-Methyl-2-(3-nitrophenyl)propanenitrile

CAS No.:
915394-28-4
Catalog Number:
AG00696X
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
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Product Description
Catalog Number:
AG00696X
Chemical Name:
2-Methyl-2-(3-nitrophenyl)propanenitrile
CAS Number:
915394-28-4
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD11036617
IUPAC Name:
2-methyl-2-(3-nitrophenyl)propanenitrile
InChI:
InChI=1S/C10H10N2O2/c1-10(2,7-11)8-4-3-5-9(6-8)12(13)14/h3-6H,1-2H3
InChI Key:
FYRQAESAYXPEBZ-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)[N+](=O)[O-])(C)C
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties