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100-19-6

100-19-6 | Ethanone, 1-(4-nitrophenyl)-

CAS No: 100-19-6 Catalog No: AG00005P MDL No:MFCD00007355

Product Description

Catalog Number:
AG00005P
Chemical Name:
Ethanone, 1-(4-nitrophenyl)-
CAS Number:
100-19-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00007355
IUPAC Name:
1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
InChI Key:
YQYGPGKTNQNXMH-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
202-827-4
NSC Number:
41590
UN Number:
2811

Properties

Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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