Home Halogens Methyl 5-bromo-2-(dimethylamino)benzoate

Methyl 5-bromo-2-(dimethylamino)benzoate

CAS No.:
1131587-63-7
Catalog Number:
AG00HCIB
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
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Product Description
Catalog Number:
AG00HCIB
Chemical Name:
Methyl 5-bromo-2-(dimethylamino)benzoate
CAS Number:
1131587-63-7
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD11110844
IUPAC Name:
methyl 5-bromo-2-(dimethylamino)benzoate
InChI:
InChI=1S/C10H12BrNO2/c1-12(2)9-5-4-7(11)6-8(9)10(13)14-3/h4-6H,1-3H3
InChI Key:
OKODHIROTGDYQO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1N(C)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties