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Home > Fluorides > 1330750-38-3
1330750-38-3 | Benzoic acid, 2-fluoro-4-(2-methylpropoxy)-, methyl ester
CAS No: 1330750-38-3 Catalog No: AG00146E MDL No:MFCD19981549
Product Description
Catalog Number:
AG00146E
Chemical Name:
Benzoic acid, 2-fluoro-4-(2-methylpropoxy)-, methyl ester
CAS Number:
1330750-38-3
Molecular Formula:
C12H15FO3
Molecular Weight:
226.2441
MDL Number:
MFCD19981549
IUPAC Name:
methyl 2-fluoro-4-(2-methylpropoxy)benzoate
InChI:
InChI=1S/C12H15FO3/c1-8(2)7-16-9-4-5-10(11(13)6-9)12(14)15-3/h4-6,8H,7H2,1-3H3
InChI Key:
HODLKMZTROFZEW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1F)OCC(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.247g/mol
Monoisotopic Mass:
226.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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