Home Nitriles 3-Chloro-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-Chloro-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

CAS No.:
53661-33-9
Catalog Number:
AG00DLAE
Molecular Formula:
C10H9ClN2
Molecular Weight:
192.6449
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$350
- +
Product Description
Catalog Number:
AG00DLAE
Chemical Name:
3-Chloro-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS Number:
53661-33-9
Molecular Formula:
C10H9ClN2
Molecular Weight:
192.6449
MDL Number:
MFCD27925070
IUPAC Name:
3-chloro-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
InChI:
InChI=1S/C10H9ClN2/c11-10-9(5-12)8-4-2-1-3-7(8)6-13-10/h6H,1-4H2
InChI Key:
GAGUCFBMIWSBNQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)ncc2c1CCCC2
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.646g/mol
Monoisotopic Mass:
192.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties