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Home > Bromides > 1261988-52-6
1261988-52-6 | Benzamide, 4-bromo-N-(1,1-dimethylethyl)-2-ethoxy-
CAS No: 1261988-52-6 Catalog No: AG000SAG MDL No:MFCD18311849
Product Description
Catalog Number:
AG000SAG
Chemical Name:
Benzamide, 4-bromo-N-(1,1-dimethylethyl)-2-ethoxy-
CAS Number:
1261988-52-6
Molecular Formula:
C13H18BrNO2
Molecular Weight:
300.1915
MDL Number:
MFCD18311849
IUPAC Name:
4-bromo-N-tert-butyl-2-ethoxybenzamide
InChI:
InChI=1S/C13H18BrNO2/c1-5-17-11-8-9(14)6-7-10(11)12(16)15-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,16)
InChI Key:
HEHSYLPUUOXERL-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)ccc1C(=O)NC(C)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.196g/mol
Monoisotopic Mass:
299.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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