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478375-40-5 | Methyl 3-bromo-5-methylbenzoate
CAS No: 478375-40-5 Catalog No: AG0038PI MDL No:MFCD11007827
Product Description
Catalog Number:
AG0038PI
Chemical Name:
Methyl 3-bromo-5-methylbenzoate
CAS Number:
478375-40-5
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD11007827
IUPAC Name:
methyl 3-bromo-5-methylbenzoate
InChI:
InChI=1S/C9H9BrO2/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5H,1-2H3
InChI Key:
OAOZBFUAVJUPED-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)cc(c1)Br
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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