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Home > Bromides > 1214366-76-3
1214366-76-3 | Benzoic acid, 4-bromo-2-methoxy-, ethyl ester
CAS No: 1214366-76-3 Catalog No: AG0014WH MDL No:
Product Description
Catalog Number:
AG0014WH
Chemical Name:
Benzoic acid, 4-bromo-2-methoxy-, ethyl ester
CAS Number:
1214366-76-3
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
IUPAC Name:
ethyl 4-bromo-2-methoxybenzoate
InChI:
InChI=1S/C10H11BrO3/c1-3-14-10(12)8-5-4-7(11)6-9(8)13-2/h4-6H,3H2,1-2H3
InChI Key:
KIJFCXXSVUJWAA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1OC)Br
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:
2.8
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