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6021-32-5 | methyl 4-bromo-2,3-dimethylbenzoate
CAS No: 6021-32-5 Catalog No: AG00399I MDL No:
Product Description
Catalog Number:
AG00399I
Chemical Name:
methyl 4-bromo-2,3-dimethylbenzoate
CAS Number:
6021-32-5
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
methyl 4-bromo-2,3-dimethylbenzoate
InChI:
InChI=1S/C10H11BrO2/c1-6-7(2)9(11)5-4-8(6)10(12)13-3/h4-5H,1-3H3
InChI Key:
OBGPZONEGQIWOS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1C)C)Br
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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