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388613-52-3 | 3,5-DIIODOBENZOIC ACID ETHYL ESTER
CAS No: 388613-52-3 Catalog No: AG00CUWU MDL No:MFCD11617982
Product Description
Catalog Number:
AG00CUWU
Chemical Name:
3,5-DIIODOBENZOIC ACID ETHYL ESTER
CAS Number:
388613-52-3
MDL Number:
MFCD11617982
IUPAC Name:
ethyl 3,5-diiodobenzoate
InChI:
InChI=1S/C9H8I2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3
InChI Key:
HUOOVSRJBAYPER-UHFFFAOYSA-N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.861g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.97g/mol
Monoisotopic Mass:
401.861g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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