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261762-92-9 | Benzeneacetic acid, 2-chloro-6-fluoro-3-methyl-
CAS No: 261762-92-9 Catalog No: AG002S1Z MDL No:MFCD01631365
Product Description
Catalog Number:
AG002S1Z
Chemical Name:
Benzeneacetic acid, 2-chloro-6-fluoro-3-methyl-
CAS Number:
261762-92-9
Molecular Formula:
C9H8ClFO2
Molecular Weight:
202.6100
MDL Number:
MFCD01631365
IUPAC Name:
2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
InChI:
InChI=1S/C9H8ClFO2/c1-5-2-3-7(11)6(9(5)10)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChI Key:
IZLFHWYEGHXIRN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(F)ccc(c1Cl)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.609g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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