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88698-33-3 | Benzenamine, 2,6-dibromo-4-[3-(1,1-dimethylethyl)-5-oxazolidinyl]-
CAS No: 88698-33-3 Catalog No: AG0046H5 MDL No:
Product Description
Catalog Number:
AG0046H5
Chemical Name:
Benzenamine, 2,6-dibromo-4-[3-(1,1-dimethylethyl)-5-oxazolidinyl]-
CAS Number:
88698-33-3
Molecular Formula:
C13H18Br2N2O
Molecular Weight:
378.1028
IUPAC Name:
2,6-dibromo-4-(3-tert-butyl-1,3-oxazolidin-5-yl)aniline
InChI:
InChI=1S/C13H18Br2N2O/c1-13(2,3)17-6-11(18-7-17)8-4-9(14)12(16)10(15)5-8/h4-5,11H,6-7,16H2,1-3H3
InChI Key:
LRLQBVCIKCRWSF-UHFFFAOYSA-N
SMILES:
CC(N1COC(C1)c1cc(Br)c(c(c1)Br)N)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.977g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.108g/mol
Monoisotopic Mass:
375.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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