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16044-36-3 | Propanamide, N,N'-1,2-phenylenebis[3-bromo-
CAS No: 16044-36-3 Catalog No: AG001RXP MDL No:
Product Description
Catalog Number:
AG001RXP
Chemical Name:
Propanamide, N,N'-1,2-phenylenebis[3-bromo-
CAS Number:
16044-36-3
Molecular Formula:
C12H14Br2N2O2
Molecular Weight:
378.0598
IUPAC Name:
3-bromo-N-[2-(3-bromopropanoylamino)phenyl]propanamide
InChI:
InChI=1S/C12H14Br2N2O2/c13-7-5-11(17)15-9-3-1-2-4-10(9)16-12(18)6-8-14/h1-4H,5-8H2,(H,15,17)(H,16,18)
InChI Key:
PQKBREPJJAUYDZ-UHFFFAOYSA-N
SMILES:
BrCCC(=O)Nc1ccccc1NC(=O)CCBr
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.94g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.064g/mol
Monoisotopic Mass:
375.942g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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