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Home > Bromides > 1007455-21-1
1007455-21-1 | Benzoic acid, 2-bromo-4-fluoro-5-methoxy-
CAS No: 1007455-21-1 Catalog No: AG0002RM MDL No:MFCD13193242
Product Description
Catalog Number:
AG0002RM
Chemical Name:
Benzoic acid, 2-bromo-4-fluoro-5-methoxy-
CAS Number:
1007455-21-1
Molecular Formula:
C8H6BrFO3
Molecular Weight:
249.0338
MDL Number:
MFCD13193242
IUPAC Name:
2-bromo-4-fluoro-5-methoxybenzoic acid
InChI:
InChI=1S/C8H6BrFO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChI Key:
HECJSMILDFGZPA-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(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:
2.2
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