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15982-12-4 | 1(4H)-Naphthalenone, 2-[bromo(4-chlorophenyl)methyl]-4,4-dimethyl-
CAS No: 15982-12-4 Catalog No: AG001RF0 MDL No:
Product Description
Catalog Number:
AG001RF0
Chemical Name:
1(4H)-Naphthalenone, 2-[bromo(4-chlorophenyl)methyl]-4,4-dimethyl-
CAS Number:
15982-12-4
Molecular Formula:
C19H16BrClO
Molecular Weight:
375.6867
IUPAC Name:
2-[bromo-(4-chlorophenyl)methyl]-4,4-dimethylnaphthalen-1-one
InChI:
InChI=1S/C19H16BrClO/c1-19(2)11-15(17(20)12-7-9-13(21)10-8-12)18(22)14-5-3-4-6-16(14)19/h3-11,17H,1-2H3
InChI Key:
BDYNSETUNJKRQN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(C1=CC(C)(C)c2c(C1=O)cccc2)Br
NSC Number:
150338
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.007g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.69g/mol
Monoisotopic Mass:
374.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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