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Home > Nitro Compounds > 1269400-04-5
1269400-04-5 | Methanimidamide, N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethyl-
CAS No: 1269400-04-5 Catalog No: AG000WFJ MDL No:
Product Description
Catalog Number:
AG000WFJ
Chemical Name:
Methanimidamide, N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethyl-
CAS Number:
1269400-04-5
Molecular Formula:
C11H12N4O3
Molecular Weight:
248.2380
IUPAC Name:
N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylmethanimidamide
InChI:
InChI=1S/C11H12N4O3/c1-14(2)7-13-9-5-11(18-3)10(15(16)17)4-8(9)6-12/h4-5,7H,1-3H3
InChI Key:
KRQJJPTWQAWICH-UHFFFAOYSA-N
SMILES:
N#Cc1cc([N+](=O)[O-])c(cc1N=CN(C)C)OC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.242g/mol
Monoisotopic Mass:
248.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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