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

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

CAS No.:
106896-48-4
Catalog Number:
AG007TQU
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
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Product Description
Catalog Number:
AG007TQU
Chemical Name:
3-Amino-2-bromo-benzoic acid methyl ester
CAS Number:
106896-48-4
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD00021899
IUPAC Name:
methyl 3-amino-2-bromobenzoate
InChI:
InChI=1S/C8H8BrNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
InChI Key:
NIXWZYZFLFEHMB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1Br)N
Properties
Complexity:
174  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties