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1208076-98-5 | Methyl 2-Bromo-5-iodo-4-methoxybenzoate
CAS No: 1208076-98-5 Catalog No: AG01FC83 MDL No:MFCD12547841
Product Description
Catalog Number:
AG01FC83
Chemical Name:
Methyl 2-Bromo-5-iodo-4-methoxybenzoate
CAS Number:
1208076-98-5
Molecular Formula:
C9H8BrIO3
Molecular Weight:
370.9665
MDL Number:
MFCD12547841
IUPAC Name:
methyl 2-bromo-5-iodo-4-methoxybenzoate
InChI:
InChI=1S/C9H8BrIO3/c1-13-8-4-6(10)5(3-7(8)11)9(12)14-2/h3-4H,1-2H3
InChI Key:
ROYMHJBWWVVBGE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)c(cc1Br)OC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.87g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.968g/mol
Monoisotopic Mass:
369.87g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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