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17426-90-3 | 1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-4,4-dimethyl-
CAS No: 17426-90-3 Catalog No: AG001ZK0 MDL No:
Product Description
Catalog Number:
AG001ZK0
Chemical Name:
1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-4,4-dimethyl-
CAS Number:
17426-90-3
Molecular Formula:
C12H13BrO
Molecular Weight:
253.1350
IUPAC Name:
2-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one
InChI:
InChI=1S/C12H13BrO/c1-12(2)7-10(13)11(14)8-5-3-4-6-9(8)12/h3-6,10H,7H2,1-2H3
InChI Key:
MPYJTIKCRPMAAH-UHFFFAOYSA-N
SMILES:
BrC1CC(C)(C)c2c(C1=O)cccc2
NSC Number:
150202
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.139g/mol
Monoisotopic Mass:
252.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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