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Home > Bromides > 1193162-18-3
1193162-18-3 | Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-, methyl ester
CAS No: 1193162-18-3 Catalog No: AG000IL7 MDL No:MFCD26391668
Product Description
Catalog Number:
AG000IL7
Chemical Name:
Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-, methyl ester
CAS Number:
1193162-18-3
Molecular Formula:
C8H6BrFO3
Molecular Weight:
249.0338
MDL Number:
MFCD26391668
IUPAC Name:
methyl 4-bromo-2-fluoro-6-hydroxybenzoate
InChI:
InChI=1S/C8H6BrFO3/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,11H,1H3
InChI Key:
QXWLOFCMJIYTHD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)cc(cc1F)Br
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.948g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.035g/mol
Monoisotopic Mass:
247.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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