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87945-96-8 | Naphthalene, 1-(bromomethyl)-1,2,3,4-tetrahydro-4-(1-methylethyl)-
CAS No: 87945-96-8 Catalog No: AG004EFK MDL No:
Product Description
Catalog Number:
AG004EFK
Chemical Name:
Naphthalene, 1-(bromomethyl)-1,2,3,4-tetrahydro-4-(1-methylethyl)-
CAS Number:
87945-96-8
Molecular Formula:
C14H19Br
Molecular Weight:
267.2047
IUPAC Name:
1-(bromomethyl)-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
InChI:
InChI=1S/C14H19Br/c1-10(2)12-8-7-11(9-15)13-5-3-4-6-14(12)13/h3-6,10-12H,7-9H2,1-2H3
InChI Key:
TXQUBTDLOXJNIF-UHFFFAOYSA-N
SMILES:
BrCC1CCC(c2c1cccc2)C(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.21g/mol
Monoisotopic Mass:
266.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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