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Aminophenylacetonitrile

CAS No.:
16750-42-8
Catalog Number:
AG00ALZT
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
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Product Description
Catalog Number:
AG00ALZT
Chemical Name:
Aminophenylacetonitrile
CAS Number:
16750-42-8
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD00044502
IUPAC Name:
2-amino-2-phenylacetonitrile
InChI:
InChI=1S/C8H8N2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,10H2
InChI Key:
JTIHSSVKTWPPHI-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)C#N
NSC Number:
118098
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties