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156573-32-9 | Benzoic acid, 2-chloro-4-iodo-, methyl ester
CAS No: 156573-32-9 Catalog No: AG001OT7 MDL No:MFCD11846101
Product Description
Catalog Number:
AG001OT7
Chemical Name:
Benzoic acid, 2-chloro-4-iodo-, methyl ester
CAS Number:
156573-32-9
Molecular Formula:
C8H6ClIO2
Molecular Weight:
296.4895
MDL Number:
MFCD11846101
IUPAC Name:
methyl 2-chloro-4-iodobenzoate
InChI:
InChI=1S/C8H6ClIO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3
InChI Key:
GXZQAHOVNZHGFE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Cl)I
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
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