sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-Nitro-isoquinolin-1-ol

4-Nitro-isoquinolin-1-ol

CAS No.:
55404-29-0
Catalog Number:
AG00DAJ0
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$300
- +
5g
95%
In Stock USA
United States
$875
- +
Product Description
Catalog Number:
AG00DAJ0
Chemical Name:
4-Nitro-isoquinolin-1-ol
CAS Number:
55404-29-0
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD00030740
IUPAC Name:
4-nitro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H6N2O3/c12-9-7-4-2-1-3-6(7)8(5-10-9)11(13)14/h1-5H,(H,10,12)
InChI Key:
HBIRBNQMLAPWOH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(=O)c2c1cccc2
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Novel Diels-Alder reaction of 4-nitro-1(2H)-isoquinolones. Chemical & pharmaceutical bulletin 20060201
Properties