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209851-95-6 | 1(2H)-Naphthalenone, 2-(bromomethyl)-3,4-dihydro-2-methyl-
CAS No: 209851-95-6 Catalog No: AG002KFD MDL No:
Product Description
Catalog Number:
AG002KFD
Chemical Name:
1(2H)-Naphthalenone, 2-(bromomethyl)-3,4-dihydro-2-methyl-
CAS Number:
209851-95-6
Molecular Formula:
C12H13BrO
Molecular Weight:
253.1350
IUPAC Name:
2-(bromomethyl)-2-methyl-3,4-dihydronaphthalen-1-one
InChI:
InChI=1S/C12H13BrO/c1-12(8-13)7-6-9-4-2-3-5-10(9)11(12)14/h2-5H,6-8H2,1H3
InChI Key:
BGKHCIPJEQEOHX-UHFFFAOYSA-N
SMILES:
BrCC1(C)CCc2c(C1=O)cccc2
Properties
Complexity:
239
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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