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117215-81-3 | Phenol, 2-chloro-4-[[(4-nitrophenyl)methylene]amino]-
CAS No: 117215-81-3 Catalog No: AG000DYD MDL No:
Product Description
Catalog Number:
AG000DYD
Chemical Name:
Phenol, 2-chloro-4-[[(4-nitrophenyl)methylene]amino]-
CAS Number:
117215-81-3
Molecular Formula:
C13H9ClN2O3
Molecular Weight:
276.6752
IUPAC Name:
2-chloro-4-[(4-nitrophenyl)methylideneamino]phenol
InChI:
InChI=1S/C13H9ClN2O3/c14-12-7-10(3-6-13(12)17)15-8-9-1-4-11(5-2-9)16(18)19/h1-8,17H
InChI Key:
FTUMDSKPHKDQKY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C=Nc1ccc(c(c1)Cl)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.676g/mol
Monoisotopic Mass:
276.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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