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29644-86-8 | Phenol, 2-[[(4-methoxyphenyl)methylene]amino]-4-nitro-
CAS No: 29644-86-8 Catalog No: AG002YZ9 MDL No:
Product Description
Catalog Number:
AG002YZ9
Chemical Name:
Phenol, 2-[[(4-methoxyphenyl)methylene]amino]-4-nitro-
CAS Number:
29644-86-8
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
2-[(4-methoxyphenyl)methylideneamino]-4-nitrophenol
InChI:
InChI=1S/C14H12N2O4/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3
InChI Key:
HFYHMNDCZZTTCP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=Nc1cc(ccc1O)[N+](=O)[O-]
NSC Number:
112425
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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