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610-66-2 | 2-(2-Nitrophenyl)acetonitrile
CAS No: 610-66-2 Catalog No: AG003HSY MDL No:MFCD00007183
Product Description
Catalog Number:
AG003HSY
Chemical Name:
2-(2-Nitrophenyl)acetonitrile
CAS Number:
610-66-2
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00007183
IUPAC Name:
2-(2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2
InChI Key:
YPRFCQAWSNWRLM-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1[N+](=O)[O-]
EC Number:
210-231-0
UNII:
7859F455K6
NSC Number:
99338
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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