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59483-54-4

59483-54-4 | 3-CHLORO-2-NITROANILINE

CAS No: 59483-54-4 Catalog No: AG003603 MDL No:MFCD01317803

Product Description

Catalog Number:
AG003603
Chemical Name:
3-CHLORO-2-NITROANILINE
CAS Number:
59483-54-4
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD01317803
IUPAC Name:
3-chloro-2-nitroaniline
InChI:
InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
InChI Key:
YADOEPHJIBKBCN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)cccc1Cl
EC Number:
261-782-9

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:
2.2  

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