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289039-82-3 | Benzoic acid, 5-chloro-2-iodo-, methyl ester
CAS No: 289039-82-3 Catalog No: AG002X0Y MDL No:MFCD00144772
Product Description
Catalog Number:
AG002X0Y
Chemical Name:
Benzoic acid, 5-chloro-2-iodo-, methyl ester
CAS Number:
289039-82-3
Molecular Formula:
C8H6ClIO2
Molecular Weight:
296.4895
MDL Number:
MFCD00144772
IUPAC Name:
methyl 5-chloro-2-iodobenzoate
InChI:
InChI=1S/C8H6ClIO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChI Key:
LNCNRPALSKTJBG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1I
EC Number:
608-285-9
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.91g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.488g/mol
Monoisotopic Mass:
295.91g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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