sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 2-Chloro-6-nitroaniline

2-Chloro-6-nitroaniline

CAS No.:
769-11-9
Catalog Number:
AG00338Y
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$47
- +
25g
98%
In Stock USA
United States
$113
- +
100g
98%
In Stock USA
United States
$307
- +
Product Description
Catalog Number:
AG00338Y
Chemical Name:
2-Chloro-6-nitroaniline
CAS Number:
769-11-9
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD00179568
IUPAC Name:
2-chloro-6-nitroaniline
InChI:
InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
InChI Key:
VOTXWUCYIOPNNR-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cccc(c1N)Cl
EC Number:
212-204-9
NSC Number:
37398
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. Journal of medicinal chemistry 20090723
Properties