Home Halogens 5-amino-2-bromo-4-methylbenzoic acid

5-amino-2-bromo-4-methylbenzoic acid

CAS No.:
745048-63-9
Catalog Number:
AG005WOH
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$173
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Product Description
Catalog Number:
AG005WOH
Chemical Name:
5-amino-2-bromo-4-methylbenzoic acid
CAS Number:
745048-63-9
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD14706184
IUPAC Name:
5-amino-2-bromo-4-methylbenzoic acid
InChI:
InChI=1S/C8H8BrNO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
WXEDVFCZCKWBCL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N)c(cc1Br)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties