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52010-31-8 | 4-Bromo-N,N-diisopropyl-3-methylbenzamide
CAS No: 52010-31-8 Catalog No: AG003SK4 MDL No:MFCD09972126
Product Description
Catalog Number:
AG003SK4
Chemical Name:
4-Bromo-N,N-diisopropyl-3-methylbenzamide
CAS Number:
52010-31-8
Molecular Formula:
C14H20BrNO
Molecular Weight:
298.2187
MDL Number:
MFCD09972126
IUPAC Name:
4-bromo-3-methyl-N,N-di(propan-2-yl)benzamide
InChI:
InChI=1S/C14H20BrNO/c1-9(2)16(10(3)4)14(17)12-6-7-13(15)11(5)8-12/h6-10H,1-5H3
InChI Key:
ABTGXMCDXOHGOP-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)c1ccc(c(c1)C)Br)C(C)C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.224g/mol
Monoisotopic Mass:
297.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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