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705-79-3 | 3-Chloro-4-fluorophenylacetic acid
CAS No: 705-79-3 Catalog No: AG0033NP MDL No:MFCD01631555
Product Description
Catalog Number:
AG0033NP
Chemical Name:
3-Chloro-4-fluorophenylacetic acid
CAS Number:
705-79-3
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD01631555
IUPAC Name:
2-(3-chloro-4-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H6ClFO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12)
InChI Key:
WGODGMOMOMNTRN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)Cl)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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