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119548-14-0 | Propanamide, N,N'-1,2-ethanediylbis[3-bromo-2,2-bis(bromomethyl)- (9CI)
CAS No: 119548-14-0 Catalog No: AG000IXP MDL No:
Product Description
Catalog Number:
AG000IXP
Chemical Name:
Propanamide, N,N'-1,2-ethanediylbis[3-bromo-2,2-bis(bromomethyl)- (9CI)
CAS Number:
119548-14-0
Molecular Formula:
C12H18Br6N2O2
Molecular Weight:
701.7075
IUPAC Name:
3-bromo-N-[2-[[3-bromo-2,2-bis(bromomethyl)propanoyl]amino]ethyl]-2,2-bis(bromomethyl)propanamide
InChI:
InChI=1S/C12H18Br6N2O2/c13-3-11(4-14,5-15)9(21)19-1-2-20-10(22)12(6-16,7-17)8-18/h1-8H2,(H,19,21)(H,20,22)
InChI Key:
GCGYBICIDYUXEC-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)NCCNC(=O)C(CBr)(CBr)CBr)(CBr)CBr
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
701.641g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
701.712g/mol
Monoisotopic Mass:
695.647g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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