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Home > Nitro Compounds > 1274948-08-1
1274948-08-1 | 3-nitro-N-[(1E,3E)-3-[(3-nitrophenyl)imino]prop-1-en-1-yl]aniline hydrochloride
CAS No: 1274948-08-1 Catalog No: AG00J02X MDL No:MFCD01114517
Product Description
Catalog Number:
AG00J02X
Chemical Name:
3-nitro-N-[(1E,3E)-3-[(3-nitrophenyl)imino]prop-1-en-1-yl]aniline hydrochloride
CAS Number:
1274948-08-1
Molecular Formula:
C15H13ClN4O4
Molecular Weight:
348.7411
MDL Number:
MFCD01114517
IUPAC Name:
[(E)-3-(3-nitroanilino)prop-2-enylidene]-(3-nitrophenyl)azanium;chloride
InChI:
InChI=1S/C15H12N4O4.ClH/c20-18(21)14-6-1-4-12(10-14)16-8-3-9-17-13-5-2-7-15(11-13)19(22)23;/h1-11,16H;1H/b8-3+,17-9?;
InChI Key:
WTRRDBZQQFDHRT-DUWNTIMISA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N/C=C/C=[NH+]/c1cccc(c1)[N+](=O)[O-].[Cl-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
348.063g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.743g/mol
Monoisotopic Mass:
348.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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