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1261606-34-1 | Benzeneacetic acid, 3-fluoro-4-iodo-, ethyl ester
CAS No: 1261606-34-1 Catalog No: AG000RVE MDL No:MFCD18396453
Product Description
Catalog Number:
AG000RVE
Chemical Name:
Benzeneacetic acid, 3-fluoro-4-iodo-, ethyl ester
CAS Number:
1261606-34-1
Molecular Formula:
C10H10FIO2
Molecular Weight:
308.0881
MDL Number:
MFCD18396453
IUPAC Name:
ethyl 2-(3-fluoro-4-iodophenyl)acetate
InChI:
InChI=1S/C10H10FIO2/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
InChI Key:
MVSKFYHLLRBZLT-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(c(c1)F)I
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.091g/mol
Monoisotopic Mass:
307.971g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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