Home Halogens Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate

Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate

CAS No.:
1548163-89-8
Catalog Number:
AG00HYA1
Molecular Formula:
C12H16BrNO2S
Molecular Weight:
318.2299
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$113
- +
5g
96%
In Stock USA
United States
$425
- +
10g
96%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00HYA1
Chemical Name:
Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
CAS Number:
1548163-89-8
Molecular Formula:
C12H16BrNO2S
Molecular Weight:
318.2299
MDL Number:
MFCD25571078
IUPAC Name:
methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
InChI:
InChI=1S/C12H16BrNO2S/c1-16-12(15)9-3-2-4-14(6-9)7-11-5-10(13)8-17-11/h5,8-9H,2-4,6-7H2,1H3
InChI Key:
GFLBGPGVKUHLJC-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCN(C1)Cc1scc(c1)Br
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.009g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.229g/mol
Monoisotopic Mass:
317.009g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties