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Home > Bromides > 1208074-86-5
1208074-86-5 | Ethyl 2-Bromo-4-chloro-5-iodobenzoate
CAS No: 1208074-86-5 Catalog No: AG01FCYE MDL No:MFCD12547837
Product Description
Catalog Number:
AG01FCYE
Chemical Name:
Ethyl 2-Bromo-4-chloro-5-iodobenzoate
CAS Number:
1208074-86-5
Molecular Formula:
C9H7BrClIO2
Molecular Weight:
389.4121
MDL Number:
MFCD12547837
IUPAC Name:
ethyl 2-bromo-4-chloro-5-iodobenzoate
InChI:
InChI=1S/C9H7BrClIO2/c1-2-14-9(13)5-3-8(12)7(11)4-6(5)10/h3-4H,2H2,1H3
InChI Key:
RJTGWFHZARDKJW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(I)c(cc1Br)Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.836g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.411g/mol
Monoisotopic Mass:
387.836g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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