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189317-29-1 | Phenol, 4-bromo-2-[[(3-hydroxypropyl)imino]methyl]-
CAS No: 189317-29-1 Catalog No: AG002I9V MDL No:
Product Description
Catalog Number:
AG002I9V
Chemical Name:
Phenol, 4-bromo-2-[[(3-hydroxypropyl)imino]methyl]-
CAS Number:
189317-29-1
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
IUPAC Name:
4-bromo-2-(3-hydroxypropyliminomethyl)phenol
InChI:
InChI=1S/C10H12BrNO2/c11-9-2-3-10(14)8(6-9)7-12-4-1-5-13/h2-3,6-7,13-14H,1,4-5H2
InChI Key:
LSVOSVUFUIAWLR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C=NCCCO)Br
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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