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88802-21-5

88802-21-5 | 1(5H)-Naphthalenone, 2-bromo-6,7,8,8a-tetrahydro-5,5,8a-trimethyl-

CAS No: 88802-21-5 Catalog No: AG004AHT MDL No:

Product Description

Catalog Number:
AG004AHT
Chemical Name:
1(5H)-Naphthalenone, 2-bromo-6,7,8,8a-tetrahydro-5,5,8a-trimethyl-
CAS Number:
88802-21-5
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
IUPAC Name:
2-bromo-5,5,8a-trimethyl-7,8-dihydro-6H-naphthalen-1-one
InChI:
InChI=1S/C13H17BrO/c1-12(2)7-4-8-13(3)10(12)6-5-9(14)11(13)15/h5-6H,4,7-8H2,1-3H3
InChI Key:
DTBYVLMERMUPPH-UHFFFAOYSA-N
SMILES:
BrC1=CC=C2C(C1=O)(C)CCCC2(C)C

Properties

Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.182g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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