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289039-25-4 | Benzoic acid, 3-chloro-5-iodo-
CAS No: 289039-25-4 Catalog No: AG002X09 MDL No:MFCD00672966
Product Description
Catalog Number:
AG002X09
Chemical Name:
Benzoic acid, 3-chloro-5-iodo-
CAS Number:
289039-25-4
Molecular Formula:
C7H4ClIO2
Molecular Weight:
282.4629
MDL Number:
MFCD00672966
IUPAC Name:
3-chloro-5-iodobenzoic acid
InChI:
InChI=1S/C7H4ClIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key:
LFLGQMGSWYRAMO-UHFFFAOYSA-N
SMILES:
Clc1cc(I)cc(c1)C(=O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.894g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.461g/mol
Monoisotopic Mass:
281.894g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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