Home Halogens 3-chloro-5-nitro-aniline

3-chloro-5-nitro-aniline

CAS No.:
5344-44-5
Catalog Number:
AG00DHYI
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
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Product Description
Catalog Number:
AG00DHYI
Chemical Name:
3-chloro-5-nitro-aniline
CAS Number:
5344-44-5
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD01009865
IUPAC Name:
3-chloro-5-nitroaniline
InChI:
InChI=1S/C6H5ClN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2
InChI Key:
RXAFMJXGEACRGX-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)cc(c1)[N+](=O)[O-]
NSC Number:
1117
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:
1.8  
Properties