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Home Halogens 2-(4-BOC-Piperazino)methyl-4-bromothiophene

2-(4-BOC-Piperazino)methyl-4-bromothiophene

CAS No.:
1820603-98-2
Catalog Number:
AG00I0G2
Molecular Formula:
C14H21BrN2O2S
Molecular Weight:
361.2977
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG00I0G2
Chemical Name:
2-(4-BOC-Piperazino)methyl-4-bromothiophene
CAS Number:
1820603-98-2
Molecular Formula:
C14H21BrN2O2S
Molecular Weight:
361.2977
MDL Number:
MFCD28369582
IUPAC Name:
tert-butyl 4-[(4-bromothiophen-2-yl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C14H21BrN2O2S/c1-14(2,3)19-13(18)17-6-4-16(5-7-17)9-12-8-11(15)10-20-12/h8,10H,4-7,9H2,1-3H3
InChI Key:
JTWXKZULVKYAIL-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1scc(c1)Br)OC(C)(C)C
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.051g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.298g/mol
Monoisotopic Mass:
360.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties