Home Halogens 3-Amino-2-methyl-5-bromo benzoic acid methyl ester

3-Amino-2-methyl-5-bromo benzoic acid methyl ester

CAS No.:
1000342-11-9
Catalog Number:
AG0000IW
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97%
In Stock USA
United States
$33
- +
5g
>97%
In Stock USA
United States
$40
- +
25g
98%
In Stock USA
United States
$138
- +
100g
98%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG0000IW
Chemical Name:
3-Amino-2-methyl-5-bromo benzoic acid methyl ester
CAS Number:
1000342-11-9
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD08690071
IUPAC Name:
methyl 3-amino-5-bromo-2-methylbenzoate
InChI:
InChI=1S/C9H10BrNO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,11H2,1-2H3
InChI Key:
NMLOSXSDLWFBKT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1C)N
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties