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874804-04-3 | (2-Bromo-5-fluorophenoxy)acetic acid
CAS No: 874804-04-3 Catalog No: AG01EY1Y MDL No:MFCD06409080
Product Description
Catalog Number:
AG01EY1Y
Chemical Name:
(2-Bromo-5-fluorophenoxy)acetic acid
CAS Number:
874804-04-3
Molecular Formula:
C8H6BrFO3
Molecular Weight:
249.0338
MDL Number:
MFCD06409080
IUPAC Name:
2-(2-bromo-5-fluorophenoxy)acetic acid
InChI:
InChI=1S/C8H6BrFO3/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
LDKGNTPFIVWMGO-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cc(F)ccc1Br
Properties
Complexity:
188
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:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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