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142031-88-7 | Benzoic acid, 3-(broMoMethyl)-4-Methoxy-, Methyl ester
CAS No: 142031-88-7 Catalog No: AG001HLW MDL No:MFCD14706047
Product Description
Catalog Number:
AG001HLW
Chemical Name:
Benzoic acid, 3-(broMoMethyl)-4-Methoxy-, Methyl ester
CAS Number:
142031-88-7
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD14706047
IUPAC Name:
methyl 3-(bromomethyl)-4-methoxybenzoate
InChI:
InChI=1S/C10H11BrO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,6H2,1-2H3
InChI Key:
LMGRAYHFYULRPI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)CBr)OC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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