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23082-51-1

23082-51-1 | 1-(4-Chloro-2-nitrophenyl)ethanone

CAS No: 23082-51-1 Catalog No: AG0038VL MDL No:MFCD09031331

Product Description

Catalog Number:
AG0038VL
Chemical Name:
1-(4-Chloro-2-nitrophenyl)ethanone
CAS Number:
23082-51-1
Molecular Formula:
C8H6ClNO3
Molecular Weight:
199.5911
MDL Number:
MFCD09031331
IUPAC Name:
1-(4-chloro-2-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6ClNO3/c1-5(11)7-3-2-6(9)4-8(7)10(12)13/h2-4H,1H3
InChI Key:
PUUYGMZERWRIDS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])C(=O)C

Properties

Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.59g/mol
Monoisotopic Mass:
199.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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