Home Halogens 1-[(3-bromothiophen-2-yl)methyl]piperazine

1-[(3-bromothiophen-2-yl)methyl]piperazine

CAS No.:
1221726-35-7
Catalog Number:
AG01A7PC
Molecular Formula:
C9H13BrN2S
Molecular Weight:
261.1819
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Product Description
Catalog Number:
AG01A7PC
Chemical Name:
1-[(3-bromothiophen-2-yl)methyl]piperazine
CAS Number:
1221726-35-7
Molecular Formula:
C9H13BrN2S
Molecular Weight:
261.1819
MDL Number:
MFCD14705761
IUPAC Name:
1-[(3-bromothiophen-2-yl)methyl]piperazine
InChI:
InChI=1S/C9H13BrN2S/c10-8-1-6-13-9(8)7-12-4-2-11-3-5-12/h1,6,11H,2-5,7H2
InChI Key:
GCNNNMWMDIYQJI-UHFFFAOYSA-N
SMILES:
Brc1ccsc1CN1CCNCC1
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.998g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.181g/mol
Monoisotopic Mass:
259.998g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties