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17804-42-1

17804-42-1 | Piperazine, 1,4-bis(2-bromo-2-methyl-1-oxopropyl)- (9CI)

CAS No: 17804-42-1 Catalog No: AG0025QR MDL No:

Product Description

Catalog Number:
AG0025QR
Chemical Name:
Piperazine, 1,4-bis(2-bromo-2-methyl-1-oxopropyl)- (9CI)
CAS Number:
17804-42-1
Molecular Formula:
C12H20Br2N2O2
Molecular Weight:
384.1074
IUPAC Name:
2-bromo-1-[4-(2-bromo-2-methylpropanoyl)piperazin-1-yl]-2-methylpropan-1-one
InChI:
InChI=1S/C12H20Br2N2O2/c1-11(2,13)9(17)15-5-7-16(8-6-15)10(18)12(3,4)14/h5-8H2,1-4H3
InChI Key:
PTMKFMDIRPWGMQ-UHFFFAOYSA-N
SMILES:
O=C(C(Br)(C)C)N1CCN(CC1)C(=O)C(Br)(C)C
NSC Number:
41182

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.987g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.112g/mol
Monoisotopic Mass:
381.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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