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73930-54-8 | Phenol, 4-bromo-2-[(2-naphthalenylimino)methyl]-
CAS No: 73930-54-8 Catalog No: AG005AHC MDL No:
Product Description
Catalog Number:
AG005AHC
Chemical Name:
Phenol, 4-bromo-2-[(2-naphthalenylimino)methyl]-
CAS Number:
73930-54-8
Molecular Formula:
C17H12BrNO
Molecular Weight:
326.1873
IUPAC Name:
4-bromo-2-(naphthalen-2-yliminomethyl)phenol
InChI:
InChI=1S/C17H12BrNO/c18-15-6-8-17(20)14(9-15)11-19-16-7-5-12-3-1-2-4-13(12)10-16/h1-11,20H
InChI Key:
QBSTXVZMVSVYLF-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C=Nc1ccc2c(c1)cccc2)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.01g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.193g/mol
Monoisotopic Mass:
325.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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