Home Other Building Blocks 4-CHLORONITROBENZENE-D4

4-CHLORONITROBENZENE-D4

CAS No.:
68239-23-6
Catalog Number:
AG00FBNX
Molecular Formula:
C6ClD4NO2
Molecular Weight:
161.5791
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Product Description
Catalog Number:
AG00FBNX
Chemical Name:
4-CHLORONITROBENZENE-D4
CAS Number:
68239-23-6
Molecular Formula:
C6ClD4NO2
Molecular Weight:
161.5791
MDL Number:
MFCD01861580
IUPAC Name:
1-chloro-2,3,5,6-tetradeuterio-4-nitrobenzene
InChI:
InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1D,2D,3D,4D
InChI Key:
CZGCEKJOLUNIFY-RHQRLBAQSA-N
SMILES:
c1([2H])c([2H])c(Cl)c(c(c1[N+](=O)[O-])[2H])[2H]
EC Number:
269-435-3
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.018g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
161.577g/mol
Monoisotopic Mass:
161.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties