Home Halogens Ethanone, 1-(2-bromo-4-nitrophenyl)-

Ethanone, 1-(2-bromo-4-nitrophenyl)-

CAS No.:
90004-93-6
Catalog Number:
AG00IFYB
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
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Product Description
Catalog Number:
AG00IFYB
Chemical Name:
Ethanone, 1-(2-bromo-4-nitrophenyl)-
CAS Number:
90004-93-6
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
MDL Number:
MFCD00152297
IUPAC Name:
1-(2-bromo-4-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6BrNO3/c1-5(11)7-3-2-6(10(12)13)4-8(7)9/h2-4H,1H3
InChI Key:
GDJSHDDCLWALGA-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.044g/mol
Monoisotopic Mass:
242.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties