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Home > Bromides > 1016819-18-3
1016819-18-3 | Methanone, (3-bromophenyl)-1-piperazinyl-
CAS No: 1016819-18-3 Catalog No: AG00056M MDL No:MFCD09037860
Product Description
Catalog Number:
AG00056M
Chemical Name:
Methanone, (3-bromophenyl)-1-piperazinyl-
CAS Number:
1016819-18-3
Molecular Formula:
C11H13BrN2O
Molecular Weight:
269.1377
MDL Number:
MFCD09037860
IUPAC Name:
(3-bromophenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C11H13BrN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
InChI Key:
NIWDJNXTGZQJFZ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)N1CCNCC1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.142g/mol
Monoisotopic Mass:
268.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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