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Home > Nitro Compounds > 886570-18-9
886570-18-9 | 3-(2-Nitrobenzyl)benzonitrile
CAS No: 886570-18-9 Catalog No: AG01ECN5 MDL No:
Product Description
Catalog Number:
AG01ECN5
Chemical Name:
3-(2-Nitrobenzyl)benzonitrile
CAS Number:
886570-18-9
IUPAC Name:
3-[(2-nitrophenyl)methyl]benzonitrile
InChI:
InChI=1S/C14H10N2O2/c15-10-12-5-3-4-11(8-12)9-13-6-1-2-7-14(13)16(17)18/h1-8H,9H2
InChI Key:
RYVGRAUGVXXACB-UHFFFAOYSA-N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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