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Home > Bromides > 1160574-57-1
1160574-57-1 | Methyl 3-Bromo-4-iodo-5-methylbenzoate
CAS No: 1160574-57-1 Catalog No: AG01FCJ2 MDL No:MFCD11846083
Product Description
Catalog Number:
AG01FCJ2
Chemical Name:
Methyl 3-Bromo-4-iodo-5-methylbenzoate
CAS Number:
1160574-57-1
Molecular Formula:
C9H8BrIO2
Molecular Weight:
354.9671
MDL Number:
MFCD11846083
IUPAC Name:
methyl 3-bromo-4-iodo-5-methylbenzoate
InChI:
InChI=1S/C9H8BrIO2/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4H,1-2H3
InChI Key:
RNNLJNAAZHBNRO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1)Br)I
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.875g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.969g/mol
Monoisotopic Mass:
353.875g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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