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Home > Fluorides > 1163692-49-6

1163692-49-6

1163692-49-6 | Benzoic acid, 2,3-difluoro-5-iodo-, methyl ester

CAS No: 1163692-49-6 Catalog No: AG000CBL MDL No:MFCD16875976

Product Description

Catalog Number:
AG000CBL
Chemical Name:
Benzoic acid, 2,3-difluoro-5-iodo-, methyl ester
CAS Number:
1163692-49-6
Molecular Formula:
C8H5F2IO2
Molecular Weight:
298.0254
MDL Number:
MFCD16875976
IUPAC Name:
methyl 2,3-difluoro-5-iodobenzoate
InChI:
InChI=1S/C8H5F2IO2/c1-13-8(12)5-2-4(11)3-6(9)7(5)10/h2-3H,1H3
InChI Key:
OJRFFHAIWAPNKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)cc(c1F)F

Properties

Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.93g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.027g/mol
Monoisotopic Mass:
297.93g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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