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Home > Nitro Compounds > 477762-44-0
477762-44-0 | 8-[(E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]quinoline hydrochloride
CAS No: 477762-44-0 Catalog No: AG00IYZH MDL No:MFCD06795626
Product Description
Catalog Number:
AG00IYZH
Chemical Name:
8-[(E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]quinoline hydrochloride
CAS Number:
477762-44-0
Molecular Formula:
C16H13ClN4O2
Molecular Weight:
328.7530
MDL Number:
MFCD06795626
IUPAC Name:
N-[(4-nitrophenyl)methylideneamino]quinolin-1-ium-8-amine;chloride
InChI:
InChI=1S/C16H12N4O2.ClH/c21-20(22)14-8-6-12(7-9-14)11-18-19-15-5-1-3-13-4-2-10-17-16(13)15;/h1-11,19H;1H
InChI Key:
LVYFCTCXTRGOAQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)/C=N/Nc1cccc2c1[nH+]ccc2.[Cl-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.756g/mol
Monoisotopic Mass:
328.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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