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35309-72-9,MFCD00587757
Catalog No.:AA003J1W
35309-72-9 | 3-Bromo-N,N-diisopropylbenzamide
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Technical Information
Catalog Number:
AA003J1W
Chemical Name:
3-Bromo-N,N-diisopropylbenzamide
CAS Number:
35309-72-9
Molecular Formula:
C13H18BrNO
Molecular Weight:
284.1921
MDL Number:
MFCD00587757
IUPAC Name:
3-bromo-N,N-di(propan-2-yl)benzamide
InChI:
InChI=1S/C13H18BrNO/c1-9(2)15(10(3)4)13(16)11-6-5-7-12(14)8-11/h5-10H,1-4H3
InChI Key:
DBWZQUIZKNKCRM-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)N(C(C)C)C(C)C
Properties
Computed 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:
4.4  

Synonyms
 
3-Bromo-N,N-diisopropylbenzamide 
35309-72-9 
ANW-28172 
MFCD00587757 
AKOS002970813 
3-bromo-N,N-di(propan-2-yl)benzamide 
AM87834 
AS-8176 
AJ-44723 
CJ-10613 
TR-014622 
Benzamide,3-bromo-N,N-bis(1-methylethyl)- 
3-bromo-N,N-bis(propan-2-yl)benzamide 
V5440 
K-8008 
I01-11135 
C13H18BrNO 
3-bromo-N,N-dipropan-2-yl-benzamide 
CID4145082 
ACMC-1ADHZ 
AC1N5HM4 
CTK4H4219 
DTXSID70399877 
N,N-Diisopropyl-3-bromobenzamide 
KS-00003HA4 
ZINC3194695 
Literature
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