Home Halogens 4-nitrophenyl 2-bromopropanoate

4-nitrophenyl 2-bromopropanoate

CAS No.:
56985-87-6
Catalog Number:
AG01DWI5
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DWI5
Chemical Name:
4-nitrophenyl 2-bromopropanoate
CAS Number:
56985-87-6
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD25964750
IUPAC Name:
(4-nitrophenyl) 2-bromopropanoate
InChI:
InChI=1S/C9H8BrNO4/c1-6(10)9(12)15-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3
InChI Key:
LOVOFTZGZYJDIM-UHFFFAOYSA-N
SMILES:
CC(C(=O)Oc1ccc(cc1)[N+](=O)[O-])Br
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties