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Home > Fluorides > 1000162-78-6

1000162-78-6

1000162-78-6 | Benzoic acid, 2-fluoro-5-iodo-4-Methoxy-

CAS No: 1000162-78-6 Catalog No: AG0000A7 MDL No:MFCD20486269

Product Description

Catalog Number:
AG0000A7
Chemical Name:
Benzoic acid, 2-fluoro-5-iodo-4-Methoxy-
CAS Number:
1000162-78-6
Molecular Formula:
C8H6FIO3
Molecular Weight:
296.0343
MDL Number:
MFCD20486269
IUPAC Name:
2-fluoro-5-iodo-4-methoxybenzoic acid
InChI:
InChI=1S/C8H6FIO3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3H,1H3,(H,11,12)
InChI Key:
MDNCZSISNHLNOY-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1I)C(=O)O

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.935g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.036g/mol
Monoisotopic Mass:
295.935g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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