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148893-72-5 | Benzoic acid, 4-chloro-2-fluoro-, methyl ester
CAS No: 148893-72-5 Catalog No: AG001L93 MDL No:MFCD04038392
Product Description
Catalog Number:
AG001L93
Chemical Name:
Benzoic acid, 4-chloro-2-fluoro-, methyl ester
CAS Number:
148893-72-5
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD04038392
IUPAC Name:
methyl 4-chloro-2-fluorobenzoate
InChI:
InChI=1S/C8H6ClFO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChI Key:
FBSXNLLHWUMFEW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1F)Cl
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:
0
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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