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28058-13-1 | 4-chlorobenzaldehyde 1-(5-nitro-2-pyridyl)hydrazone
CAS No: 28058-13-1 Catalog No: AG01CAJE MDL No:MFCD00275917
Product Description
Catalog Number:
AG01CAJE
Chemical Name:
4-chlorobenzaldehyde 1-(5-nitro-2-pyridyl)hydrazone
CAS Number:
28058-13-1
Molecular Formula:
C12H9ClN4O2
Molecular Weight:
276.6785
MDL Number:
MFCD00275917
IUPAC Name:
N-[(E)-(4-chlorophenyl)methylideneamino]-5-nitropyridin-2-amine
InChI:
InChI=1S/C12H9ClN4O2/c13-10-3-1-9(2-4-10)7-15-16-12-6-5-11(8-14-12)17(18)19/h1-8H,(H,14,16)/b15-7+
InChI Key:
DUCXZFHQCWBTLC-VIZOYTHASA-N
SMILES:
Clc1ccc(cc1)/C=N/Nc1ccc(cn1)[N+](=O)[O-]
NSC Number:
42368
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
276.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.68g/mol
Monoisotopic Mass:
276.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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