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140377-97-5 | 1-Naphthalenecarbonitrile, 6-bromo-3,4-dihydro-
CAS No: 140377-97-5 Catalog No: AG001CBQ MDL No:
Product Description
Catalog Number:
AG001CBQ
Chemical Name:
1-Naphthalenecarbonitrile, 6-bromo-3,4-dihydro-
CAS Number:
140377-97-5
Molecular Formula:
C11H8BrN
Molecular Weight:
234.0919
IUPAC Name:
6-bromo-3,4-dihydronaphthalene-1-carbonitrile
InChI:
InChI=1S/C11H8BrN/c12-10-4-5-11-8(6-10)2-1-3-9(11)7-13/h3-6H,1-2H2
InChI Key:
ZLWXBVISDHXFMN-UHFFFAOYSA-N
SMILES:
N#CC1=CCCc2c1ccc(c2)Br
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.984g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.096g/mol
Monoisotopic Mass:
232.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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