Home Halogens methyl 4-amino-5-bromo-3-methylbenzoate

methyl 4-amino-5-bromo-3-methylbenzoate

CAS No.:
900019-52-5
Catalog Number:
AG00GZNX
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$232
- +
5g
95%
1 week
United States
$732
- +
Product Description
Catalog Number:
AG00GZNX
Chemical Name:
methyl 4-amino-5-bromo-3-methylbenzoate
CAS Number:
900019-52-5
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD07021337
IUPAC Name:
methyl 4-amino-3-bromo-5-methylbenzoate
InChI:
InChI=1S/C9H10BrNO2/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4H,11H2,1-2H3
InChI Key:
WJMQXQGSWCVNHQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1)Br)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