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778576-04-8 | 2-[AMINO-(4-BROMO-PHENYL)-METHYL]-NAPHTHALEN-1-OL
CAS No: 778576-04-8 Catalog No: AG005ER8 MDL No:
Product Description
Catalog Number:
AG005ER8
Chemical Name:
2-[AMINO-(4-BROMO-PHENYL)-METHYL]-NAPHTHALEN-1-OL
CAS Number:
778576-04-8
Molecular Formula:
C17H14BrNO
Molecular Weight:
328.2032
IUPAC Name:
2-[amino-(4-bromophenyl)methyl]naphthalen-1-ol
InChI:
InChI=1S/C17H14BrNO/c18-13-8-5-12(6-9-13)16(19)15-10-7-11-3-1-2-4-14(11)17(15)20/h1-10,16,20H,19H2
InChI Key:
IRBLEEOXFMMVEF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1ccc2c(c1O)cccc2)N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.209g/mol
Monoisotopic Mass:
327.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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