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116807-87-5 | Phenol, 2-[[(4-aminophenyl)imino]methyl]-
CAS No: 116807-87-5 Catalog No: AG000D8R MDL No:
Product Description
Catalog Number:
AG000D8R
Chemical Name:
Phenol, 2-[[(4-aminophenyl)imino]methyl]-
CAS Number:
116807-87-5
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
2-[(4-aminophenyl)iminomethyl]phenol
InChI:
InChI=1S/C13H12N2O/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-9,16H,14H2
InChI Key:
NQLXFZQLPAVUIO-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N=Cc1ccccc1O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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