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1260681-80-8 | Benzeneacetonitrile, 5-chloro-4-methyl-2-nitro-
CAS No: 1260681-80-8 Catalog No: AG000R29 MDL No:
Product Description
Catalog Number:
AG000R29
Chemical Name:
Benzeneacetonitrile, 5-chloro-4-methyl-2-nitro-
CAS Number:
1260681-80-8
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
IUPAC Name:
2-(5-chloro-4-methyl-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C9H7ClN2O2/c1-6-4-9(12(13)14)7(2-3-11)5-8(6)10/h4-5H,2H2,1H3
InChI Key:
LDNUPUGRGUPYEP-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Cl)c(cc1[N+](=O)[O-])C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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