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50670-64-9 | 5-Amino-2-Methylbenzonitrile
CAS No: 50670-64-9 Catalog No: AG003MDH MDL No:MFCD00017608
Product Description
Catalog Number:
AG003MDH
Chemical Name:
5-Amino-2-Methylbenzonitrile
CAS Number:
50670-64-9
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD00017608
IUPAC Name:
5-amino-2-methylbenzonitrile
InChI:
InChI=1S/C8H8N2/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,10H2,1H3
InChI Key:
YDZVQWCVKXYGIU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1C
Properties
Complexity:
156
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:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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