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116545-04-1 | Naphthalene, 1-(2-bromo-2-propen-1-yl)-
CAS No: 116545-04-1 Catalog No: AG000CQN MDL No:MFCD07775095
Product Description
Catalog Number:
AG000CQN
Chemical Name:
Naphthalene, 1-(2-bromo-2-propen-1-yl)-
CAS Number:
116545-04-1
Molecular Formula:
C13H11Br
Molecular Weight:
247.1304
MDL Number:
MFCD07775095
IUPAC Name:
1-(2-bromoprop-2-enyl)naphthalene
InChI:
InChI=1S/C13H11Br/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,1,9H2
InChI Key:
ACVVFAYFCAIJIU-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1cccc2c1cccc2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.135g/mol
Monoisotopic Mass:
246.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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