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Home Halogens Methyl 4-bromo-2-(pyrrolidin-1-yl)benzoate

Methyl 4-bromo-2-(pyrrolidin-1-yl)benzoate

CAS No.:
2055119-29-2
Catalog Number:
AG00I3X4
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00I3X4
Chemical Name:
Methyl 4-bromo-2-(pyrrolidin-1-yl)benzoate
CAS Number:
2055119-29-2
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
MDL Number:
MFCD30527633
IUPAC Name:
methyl 4-bromo-2-pyrrolidin-1-ylbenzoate
InChI:
InChI=1S/C12H14BrNO2/c1-16-12(15)10-5-4-9(13)8-11(10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
RLKOAZINJASHOA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1N1CCCC1)Br
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties