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628326-12-5 | 4-Bromo-2-(4-methylpiperazino)benzaldehyde
CAS No: 628326-12-5 Catalog No: AG003KV9 MDL No:MFCD09030507
Product Description
Catalog Number:
AG003KV9
Chemical Name:
4-Bromo-2-(4-methylpiperazino)benzaldehyde
CAS Number:
628326-12-5
Molecular Formula:
C12H15BrN2O
Molecular Weight:
283.1643
MDL Number:
MFCD09030507
IUPAC Name:
4-bromo-2-(4-methylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H15BrN2O/c1-14-4-6-15(7-5-14)12-8-11(13)3-2-10(12)9-16/h2-3,8-9H,4-7H2,1H3
InChI Key:
NIOICRGSDAAJOW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1N1CCN(CC1)C)Br
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.169g/mol
Monoisotopic Mass:
282.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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