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Home > Fluorides > 114312-57-1
114312-57-1 | Benzoic acid, 3-fluoro-2-methyl-, ethyl ester
CAS No: 114312-57-1 Catalog No: AG000B21 MDL No:MFCD06204676
Product Description
Catalog Number:
AG000B21
Chemical Name:
Benzoic acid, 3-fluoro-2-methyl-, ethyl ester
CAS Number:
114312-57-1
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD06204676
IUPAC Name:
ethyl 3-fluoro-2-methylbenzoate
InChI:
InChI=1S/C10H11FO2/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3
InChI Key:
CYBRUQHZUVUAHN-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1F)C(=O)OCC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.194g/mol
Monoisotopic Mass:
182.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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