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2316-64-5 | Benzenemethanol, 5-bromo-2-hydroxy-
CAS No: 2316-64-5 Catalog No: AG002MEW MDL No:MFCD00004618
Product Description
Catalog Number:
AG002MEW
Chemical Name:
Benzenemethanol, 5-bromo-2-hydroxy-
CAS Number:
2316-64-5
Molecular Formula:
C7H7BrO2
Molecular Weight:
203.0333
MDL Number:
MFCD00004618
IUPAC Name:
4-bromo-2-(hydroxymethyl)phenol
InChI:
InChI=1S/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2
InChI Key:
KNKRHSVKIORZQB-UHFFFAOYSA-N
SMILES:
OCc1cc(Br)ccc1O
EC Number:
219-026-0
UNII:
Y1UZ53815E
NSC Number:
13010
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.963g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.035g/mol
Monoisotopic Mass:
201.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 4-bromo-2-(hydroxymethyl)phenol: helical hydrogen bonding, R(2)(2)(12) rings and C--H...pi interactions. | Acta crystallographica. Section C, Crystal structure communications 20030901 |
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