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934241-94-8 | 2-(3-bromo-5-hydroxyphenyl)acetic acid
CAS No: 934241-94-8 Catalog No: AG01EL4Z MDL No:MFCD18391506
Product Description
Catalog Number:
AG01EL4Z
Chemical Name:
2-(3-bromo-5-hydroxyphenyl)acetic acid
CAS Number:
934241-94-8
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD18391506
IUPAC Name:
2-(3-bromo-5-hydroxyphenyl)acetic acid
InChI:
InChI=1S/C8H7BrO3/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4,10H,3H2,(H,11,12)
InChI Key:
HEVGCOVCYZLVOV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(O)cc(c1)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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