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119548-17-3 | Propanamide, N,N'-1,6-hexanediylbis[3-bromo-2,2-bis(bromomethyl)- (9CI)
CAS No: 119548-17-3 Catalog No: AG000IXO MDL No:
Product Description
Catalog Number:
AG000IXO
Chemical Name:
Propanamide, N,N'-1,6-hexanediylbis[3-bromo-2,2-bis(bromomethyl)- (9CI)
CAS Number:
119548-17-3
Molecular Formula:
C16H26Br6N2O2
Molecular Weight:
757.8138
IUPAC Name:
3-bromo-N-[6-[[3-bromo-2,2-bis(bromomethyl)propanoyl]amino]hexyl]-2,2-bis(bromomethyl)propanamide
InChI:
InChI=1S/C16H26Br6N2O2/c17-7-15(8-18,9-19)13(25)23-5-3-1-2-4-6-24-14(26)16(10-20,11-21)12-22/h1-12H2,(H,23,25)(H,24,26)
InChI Key:
NWHIFNHNHVYKHJ-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)NCCCCCCNC(=O)C(CBr)(CBr)CBr)(CBr)CBr
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
757.703g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
757.82g/mol
Monoisotopic Mass:
751.709g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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