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Home > Bromides > 1177272-46-6
1177272-46-6 | Piperazine, 1-[(4-bromo-2-thienyl)methyl]-
CAS No: 1177272-46-6 Catalog No: AG000HQA MDL No:MFCD09055397
Product Description
Catalog Number:
AG000HQA
Chemical Name:
Piperazine, 1-[(4-bromo-2-thienyl)methyl]-
CAS Number:
1177272-46-6
Molecular Formula:
C9H13BrN2S
Molecular Weight:
261.1819
MDL Number:
MFCD09055397
IUPAC Name:
1-[(4-bromothiophen-2-yl)methyl]piperazine
InChI:
InChI=1S/C9H13BrN2S/c10-8-5-9(13-7-8)6-12-3-1-11-2-4-12/h5,7,11H,1-4,6H2
InChI Key:
KCJXRDRIUQICIC-UHFFFAOYSA-N
SMILES:
Brc1csc(c1)CN1CCNCC1
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
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