Home Halogens Benzeneacetic acid, 4-bromo-3-nitro-

Benzeneacetic acid, 4-bromo-3-nitro-

CAS No.:
1261603-30-8
Catalog Number:
AG000RVG
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
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Product Description
Catalog Number:
AG000RVG
Chemical Name:
Benzeneacetic acid, 4-bromo-3-nitro-
CAS Number:
1261603-30-8
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD18392320
IUPAC Name:
2-(4-bromo-3-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H6BrNO4/c9-6-2-1-5(4-8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChI Key:
MLZLMIGRMVOYLK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties