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19263-28-6 | Benzoic acid, 4-methoxy-, 2-bromoethyl ester
CAS No: 19263-28-6 Catalog No: AG002G4Q MDL No:
Product Description
Catalog Number:
AG002G4Q
Chemical Name:
Benzoic acid, 4-methoxy-, 2-bromoethyl ester
CAS Number:
19263-28-6
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
IUPAC Name:
2-bromoethyl 4-methoxybenzoate
InChI:
InChI=1S/C10H11BrO3/c1-13-9-4-2-8(3-5-9)10(12)14-7-6-11/h2-5H,6-7H2,1H3
InChI Key:
QLZPQVVCZFFTOK-UHFFFAOYSA-N
SMILES:
BrCCOC(=O)c1ccc(cc1)OC
NSC Number:
21896
Properties
Complexity:
176
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:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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