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30765-46-9 | 1(4H)-Naphthalenone, 2-[bromo(2-methylphenyl)methyl]-4,4-dimethyl-
CAS No: 30765-46-9 Catalog No: AG00317M MDL No:
Product Description
Catalog Number:
AG00317M
Chemical Name:
1(4H)-Naphthalenone, 2-[bromo(2-methylphenyl)methyl]-4,4-dimethyl-
CAS Number:
30765-46-9
Molecular Formula:
C20H19BrO
Molecular Weight:
355.2683
IUPAC Name:
2-[bromo-(2-methylphenyl)methyl]-4,4-dimethylnaphthalen-1-one
InChI:
InChI=1S/C20H19BrO/c1-13-8-4-5-9-14(13)18(21)16-12-20(2,3)17-11-7-6-10-15(17)19(16)22/h4-12,18H,1-3H3
InChI Key:
RKZOEFRPIITFLS-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(C1=CC(C)(C)c2c(C1=O)cccc2)Br
NSC Number:
150333
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.275g/mol
Monoisotopic Mass:
354.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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