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128113-40-6 | Naphthalene, 1-(4-bromobutyl)-
CAS No: 128113-40-6 Catalog No: AG000XT0 MDL No:
Product Description
Catalog Number:
AG000XT0
Chemical Name:
Naphthalene, 1-(4-bromobutyl)-
CAS Number:
128113-40-6
Molecular Formula:
C14H15Br
Molecular Weight:
263.1729
IUPAC Name:
1-(4-bromobutyl)naphthalene
InChI:
InChI=1S/C14H15Br/c15-11-4-3-7-13-9-5-8-12-6-1-2-10-14(12)13/h1-2,5-6,8-10H,3-4,7,11H2
InChI Key:
NBVAPHKPYCQSTH-UHFFFAOYSA-N
SMILES:
BrCCCCc1cccc2c1cccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.178g/mol
Monoisotopic Mass:
262.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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