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Home > Nitro Compounds > 1379811-56-9
1379811-56-9 | N-(4-Methyl-3-nitrophenyl)imidodicarbonimidicdiamide
CAS No: 1379811-56-9 Catalog No: AG00HV6I MDL No:MFCD22374943
Product Description
Catalog Number:
AG00HV6I
Chemical Name:
N-(4-Methyl-3-nitrophenyl)imidodicarbonimidicdiamide
CAS Number:
1379811-56-9
Molecular Formula:
C9H12N6O2
Molecular Weight:
236.2306
MDL Number:
MFCD22374943
IUPAC Name:
1-(diaminomethylidene)-2-(4-methyl-3-nitrophenyl)guanidine
InChI:
InChI=1S/C9H12N6O2/c1-5-2-3-6(4-7(5)15(16)17)13-9(12)14-8(10)11/h2-4H,1H3,(H6,10,11,12,13,14)
InChI Key:
LZUVDCBBUFSLHY-UHFFFAOYSA-N
SMILES:
NC(=N)NC(=N)Nc1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.235g/mol
Monoisotopic Mass:
236.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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