CAS Registry Number: 70264-94-7

Name:

Benzoic acid, 4-​(bromomethyl)​-​3-​methoxy-​, methyl ester
3-​Methoxy-​4-​(bromomethyl)​benzoic acid methyl ester; 4-​(Bromomethyl)​-​3-​methoxybenzoic acid methyl ester; Methyl 4-​(2-​bromoethyl)​-​3-​methoxybenzoate; Methyl 4-​(bromomethyl)​-​3-​(methyloxy)​benzoate; Methyl 4-​(bromomethyl)​-​3-​methoxybenzoate 

Deleted CAS Registry Numbers: 540497-​64-​1

Chemical Formula: C10H11BrO3
Exact Mass: 257.99
Molecular Weight: 259.10
m/z: 257.99 (100.0%), 259.99 (97.9%), 258.99 (10.9%), 260.99 (10.8%), 261.99 (1.1%)
Elemental Analysis: C, 46.36; H, 4.28; Br, 30.84; O, 18.53

InChI: InChI=1S/C10H11BrO3/c1-13-9-5-7(10(12)14-2)3-4-8(9)6-11/h3-5H,6H2,1-2H3
InChIKey: UXSNXOMMJXTFEG-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=CC(=C1)C(=O)OC)CBr

Specification

98%

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2. (2) Brown, Frederick J.; Journal of Medicinal Chemistry 1990, V33(6), P1771-81 CAPLUS
3. (3) Brown, Frederick J.; US 4894386 A 1990 CAPLUS
4. (4) Bernstein, Peter R.; Journal of Medicinal Chemistry 1988, V31(3), P692-6 CAPLUS