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Home > Bromides > 1312609-83-8
1312609-83-8 | Benzoic acid, 4-bromo-2,3-dihydroxy-, ethyl ester
CAS No: 1312609-83-8 Catalog No: AG000VTI MDL No:MFCD27996707
Product Description
Catalog Number:
AG000VTI
Chemical Name:
Benzoic acid, 4-bromo-2,3-dihydroxy-, ethyl ester
CAS Number:
1312609-83-8
Molecular Formula:
C9H9BrO4
Molecular Weight:
261.0694
MDL Number:
MFCD27996707
IUPAC Name:
ethyl 4-bromo-2,3-dihydroxybenzoate
InChI:
InChI=1S/C9H9BrO4/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4,11-12H,2H2,1H3
InChI Key:
PSZXIAXXYJBWNW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1O)O)Br
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.968g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.071g/mol
Monoisotopic Mass:
259.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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