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Home > Indoles and Oxindole > 1181458-97-8
1181458-97-8 | 2-(1H-indol-3-yl)-1-(piperazin-1-yl)ethan-1-one hydrochloride
CAS No: 1181458-97-8 Catalog No: AG00VT9F MDL No:MFCD12197122
Product Description
Catalog Number:
AG00VT9F
Chemical Name:
2-(1H-indol-3-yl)-1-(piperazin-1-yl)ethan-1-one hydrochloride
CAS Number:
1181458-97-8
Molecular Formula:
C14H18ClN3O
Molecular Weight:
279.7652
MDL Number:
MFCD12197122
IUPAC Name:
2-(1H-indol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
InChI:
InChI=1S/C14H17N3O.ClH/c18-14(17-7-5-15-6-8-17)9-11-10-16-13-4-2-1-3-12(11)13;/h1-4,10,15-16H,5-9H2;1H
InChI Key:
HBMQHDXOUGLSFA-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)Cc1c[nH]c2c1cccc2.Cl
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.768g/mol
Monoisotopic Mass:
279.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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