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Home > Bromides > 1431966-28-7
1431966-28-7 | 1-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine hydrochloride
CAS No: 1431966-28-7 Catalog No: AG01FIN3 MDL No:
Product Description
Catalog Number:
AG01FIN3
Chemical Name:
1-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)piperazine hydrochloride
CAS Number:
1431966-28-7
Molecular Formula:
C9H14BrClN4O
Molecular Weight:
309.5907
IUPAC Name:
(4-bromo-2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
InChI:
InChI=1S/C9H13BrN4O.ClH/c1-13-8(7(10)6-12-13)9(15)14-4-2-11-3-5-14;/h6,11H,2-5H2,1H3;1H
InChI Key:
SWKKNEJUUKFZOE-UHFFFAOYSA-N
SMILES:
O=C(c1c(Br)cnn1C)N1CCNCC1.Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.004g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.592g/mol
Monoisotopic Mass:
308.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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