Home Halogens Benzoic acid, 2-amino-5-bromo-4-methoxy-, methyl ester

Benzoic acid, 2-amino-5-bromo-4-methoxy-, methyl ester

CAS No.:
169044-96-6
Catalog Number:
AG001YG8
Molecular Formula:
C9H10BrNO3
Molecular Weight:
260.0846
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Product Description
Catalog Number:
AG001YG8
Chemical Name:
Benzoic acid, 2-amino-5-bromo-4-methoxy-, methyl ester
CAS Number:
169044-96-6
Molecular Formula:
C9H10BrNO3
Molecular Weight:
260.0846
MDL Number:
MFCD21868787
IUPAC Name:
methyl 2-amino-5-bromo-4-methoxybenzoate
InChI:
InChI=1S/C9H10BrNO3/c1-13-8-4-7(11)5(3-6(8)10)9(12)14-2/h3-4H,11H2,1-2H3
InChI Key:
SFXCMXLNSVHKCE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1N)OC
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.984g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.087g/mol
Monoisotopic Mass:
258.984g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties