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Home > Nitro Compounds > 1401423-29-7
1401423-29-7 | 5-METHOXY-2-METHYL-4-NITROBENZONITRILE
CAS No: 1401423-29-7 Catalog No: AG00HVQY MDL No:
Product Description
Catalog Number:
AG00HVQY
Chemical Name:
5-METHOXY-2-METHYL-4-NITROBENZONITRILE
CAS Number:
1401423-29-7
IUPAC Name:
5-methoxy-2-methyl-4-nitrobenzonitrile
InChI:
InChI=1S/C9H8N2O3/c1-6-3-8(11(12)13)9(14-2)4-7(6)5-10/h3-4H,1-2H3
InChI Key:
NRJWNFQMZBQCRT-UHFFFAOYSA-N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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