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CAS Number: 102568-21-8
7-bromo-3,3-dimethyl-3,4-dihydronaphthalen-1(2H)-one

Structure

7-bromo-3,3-dimethyl-3,4-dihydronaphthalen-1(2H)-one
Name: 7-bromo-3,3-dimethyl-3,4-dihydronaphthalen-1(2H)-one
Synonyms:
General Information
Product Number: 102568218

CAS Registry Number 102568-21-8
Name:
1(2H)?-?Naphthalenone, 7-?bromo-?3,?4-?dihydro-?3,?3-?dimethyl-
7-Bromo-3,3-dimethyl-3,4-dihydronaphthalen-1(2H)-one

 

Chemical Formula: C12H13BrO
Exact Mass: 252.01
Molecular Weight: 253.14
m/z: 252.01 (100.0%), 254.01 (97.3%), 253.02 (13.2%), 255.02 (12.8%), 254.02 (1.0%)

 

InChI:InChI=1S/C12H13BrO/c1-12(2)6-8-3-4-9(13)5-10(8)11(14)7-12/h3-5H,6-7H2,1-2H3

InChI Key:DXANJOXASGMQTF-UHFFFAOYSA-N

Canonical SMILES:CC1(CC2=C(C=C(C=C2)Br)C(=O)C1)C

Specification

98%

References

PCT Int. Appl. (2011), WO 2011123674 A1 20111006.

Journal of Medicinal Chemistry (2013), 56(8), 3379-3403.                                 

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