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203916-59-0 | Benzoic acid, 2,3,4-trifluoro-5-iodo-
CAS No: 203916-59-0 Catalog No: AG00296U MDL No:
Product Description
Catalog Number:
AG00296U
Chemical Name:
Benzoic acid, 2,3,4-trifluoro-5-iodo-
CAS Number:
203916-59-0
Molecular Formula:
C7H2F3IO2
Molecular Weight:
301.9893
IUPAC Name:
2,3,4-trifluoro-5-iodobenzoic acid
InChI:
InChI=1S/C7H2F3IO2/c8-4-2(7(12)13)1-3(11)5(9)6(4)10/h1H,(H,12,13)
InChI Key:
HPJYIPWVPDYSDU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c(c(c1F)F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.905g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.991g/mol
Monoisotopic Mass:
301.905g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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