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13811-12-6 | Benzenepropanoic acid, 3,5-dibromo-4-hydroxy-
CAS No: 13811-12-6 Catalog No: AG001807 MDL No:MFCD00816760
Product Description
Catalog Number:
AG001807
Chemical Name:
Benzenepropanoic acid, 3,5-dibromo-4-hydroxy-
CAS Number:
13811-12-6
Molecular Formula:
C9H8Br2O3
Molecular Weight:
323.9660
MDL Number:
MFCD00816760
IUPAC Name:
3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H8Br2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h3-4,14H,1-2H2,(H,12,13)
InChI Key:
RYXMOITYFVDWIR-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(Br)c(c(c1)Br)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.882g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.968g/mol
Monoisotopic Mass:
321.884g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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