Home Other Building Blocks 6-Chloro-3,4-dihydro-2h-isoquinolin-1-one

6-Chloro-3,4-dihydro-2h-isoquinolin-1-one

CAS No.:
22246-02-2
Catalog Number:
AG007P1L
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$185
- +
5g
97%
1 week
United States
$509
- +
Product Description
Catalog Number:
AG007P1L
Chemical Name:
6-Chloro-3,4-dihydro-2h-isoquinolin-1-one
CAS Number:
22246-02-2
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD04114866
IUPAC Name:
6-chloro-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H8ClNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12)
InChI Key:
RQKCSUSXBKSENU-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CCNC2=O
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties