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88466-41-5 | 4a(2H)-Naphthalenecarbonitrile, 8a-bromooctahydro-, trans-
CAS No: 88466-41-5 Catalog No: AG004CL8 MDL No:
Product Description
Catalog Number:
AG004CL8
Chemical Name:
4a(2H)-Naphthalenecarbonitrile, 8a-bromooctahydro-, trans-
CAS Number:
88466-41-5
Molecular Formula:
C11H16BrN
Molecular Weight:
242.1554
IUPAC Name:
8a-bromo-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carbonitrile
InChI:
InChI=1S/C11H16BrN/c12-11-7-3-1-5-10(11,9-13)6-2-4-8-11/h1-8H2
InChI Key:
BCDLWFRLNUUPHK-UHFFFAOYSA-N
SMILES:
N#C[C@]12CCCC[C@@]2(Br)CCCC1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.16g/mol
Monoisotopic Mass:
241.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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