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79839-66-0 | 2-Bromo-N,N-diisopropylbenzamide
CAS No: 79839-66-0 Catalog No: AG003SY2 MDL No:MFCD00583268
Product Description
Catalog Number:
AG003SY2
Chemical Name:
2-Bromo-N,N-diisopropylbenzamide
CAS Number:
79839-66-0
Molecular Formula:
C13H18BrNO
Molecular Weight:
284.1921
MDL Number:
MFCD00583268
IUPAC Name:
2-bromo-N,N-di(propan-2-yl)benzamide
InChI:
InChI=1S/C13H18BrNO/c1-9(2)15(10(3)4)13(16)11-7-5-6-8-12(11)14/h5-10H,1-4H3
InChI Key:
CFGJWHGKVALRSD-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)c1ccccc1Br)C(C)C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.197g/mol
Monoisotopic Mass:
283.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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