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Home Halogens Methyl 5-bromo-2-methyl-3-((tetrahydro-2h-pyran-4-yl)amino)benzoate

Methyl 5-bromo-2-methyl-3-((tetrahydro-2h-pyran-4-yl)amino)benzoate

CAS No.:
1403257-49-7
Catalog Number:
AG009C9O
Molecular Formula:
C14H18BrNO3
Molecular Weight:
328.2016
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$315
- +
250mg
95%
In Stock USA
United States
$588
- +
1g
95%
In Stock USA
United States
$1176
- +
5g
95%
In Stock USA
United States
$3528
- +
Product Description
Catalog Number:
AG009C9O
Chemical Name:
Methyl 5-bromo-2-methyl-3-((tetrahydro-2h-pyran-4-yl)amino)benzoate
CAS Number:
1403257-49-7
Molecular Formula:
C14H18BrNO3
Molecular Weight:
328.2016
MDL Number:
MFCD28347528
IUPAC Name:
methyl 5-bromo-2-methyl-3-(oxan-4-ylamino)benzoate
InChI:
InChI=1S/C14H18BrNO3/c1-9-12(14(17)18-2)7-10(15)8-13(9)16-11-3-5-19-6-4-11/h7-8,11,16H,3-6H2,1-2H3
InChI Key:
SGCILHRPCZDQGD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1C)NC1CCOCC1
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.047g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
328.206g/mol
Monoisotopic Mass:
327.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties