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148252-44-2

148252-44-2 | 6-Heptenenitrile, 6-bromo-

CAS No: 148252-44-2 Catalog No: AG001FKK MDL No:

Product Description

Catalog Number:
AG001FKK
Chemical Name:
6-Heptenenitrile, 6-bromo-
CAS Number:
148252-44-2
Molecular Formula:
C7H10BrN
Molecular Weight:
188.0650
IUPAC Name:
6-bromohept-6-enenitrile
InChI:
InChI=1S/C7H10BrN/c1-7(8)5-3-2-4-6-9/h1-5H2
InChI Key:
JFGPFGXVCVBBMK-UHFFFAOYSA-N
SMILES:
N#CCCCCC(=C)Br

Properties

Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.068g/mol
Monoisotopic Mass:
187g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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