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Home > Bromides > 1823913-07-0
1823913-07-0 | Benzoic acid, 4-bromo-2-fluoro-6-methoxy-, ethyl ester
CAS No: 1823913-07-0 Catalog No: AG0023SC MDL No:
Product Description
Catalog Number:
AG0023SC
Chemical Name:
Benzoic acid, 4-bromo-2-fluoro-6-methoxy-, ethyl ester
CAS Number:
1823913-07-0
Molecular Formula:
C10H10BrFO3
Molecular Weight:
277.0870
IUPAC Name:
ethyl 4-bromo-2-fluoro-6-methoxybenzoate
InChI:
InChI=1S/C10H10BrFO3/c1-3-15-10(13)9-7(12)4-6(11)5-8(9)14-2/h4-5H,3H2,1-2H3
InChI Key:
WKEYQAFEFZNDMF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)cc(cc1OC)Br
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.089g/mol
Monoisotopic Mass:
275.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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