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20870-33-1 | Naphthalene, 1-bromo-3,7-bis(1,1-dimethylethyl)-
CAS No: 20870-33-1 Catalog No: AG002JUU MDL No:
Product Description
Catalog Number:
AG002JUU
Chemical Name:
Naphthalene, 1-bromo-3,7-bis(1,1-dimethylethyl)-
CAS Number:
20870-33-1
Molecular Formula:
C18H23Br
Molecular Weight:
319.2792
IUPAC Name:
1-bromo-3,7-ditert-butylnaphthalene
InChI:
InChI=1S/C18H23Br/c1-17(2,3)13-8-7-12-9-14(18(4,5)6)11-16(19)15(12)10-13/h7-11H,1-6H3
InChI Key:
NANSFSIRYJQRSA-UHFFFAOYSA-N
SMILES:
Brc1cc(cc2c1cc(cc2)C(C)(C)C)C(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.286g/mol
Monoisotopic Mass:
318.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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