Home Bromides 1027160-12-8
1027160-12-8,MFCD21363444
Catalog No.:AA00084I
1027160-12-8 | 1,3-Benzenediacetonitrile, 5-(dibromomethyl)-α1,α1,α3,α3-tetramethyl-
This product is typically in stock,please click "Inquire" below or
contact us at sales@aablocks.com for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00084I
Chemical Name:
1,3-Benzenediacetonitrile, 5-(dibromomethyl)-α1,α1,α3,α3-tetramethyl-
CAS Number:
1027160-12-8
Molecular Formula:
C15H16Br2N2
Molecular Weight:
384.1089
MDL Number:
MFCD21363444
IUPAC Name:
2-[3-(2-cyanopropan-2-yl)-5-(dibromomethyl)phenyl]-2-methylpropanenitrile
InChI:
InChI=1S/C15H16Br2N2/c1-14(2,8-18)11-5-10(13(16)17)6-12(7-11)15(3,4)9-19/h5-7,13H,1-4H3
InChI Key:
AJUNARPIHUBZNV-UHFFFAOYSA-N
SMILES:
N#CC(c1cc(cc(c1)C(C#N)(C)C)C(Br)Br)(C)C
Properties
Computed Properties
 
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.966g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.115g/mol
Monoisotopic Mass:
381.968g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

Synonyms
 
1027160-12-8 
alpha,alpha,alpha',alpha'-Tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile 
FT-0674958 
3,5-bis(1-cyano-1-methylethyl)-alpha,alpha-dibromotoluene 
2,2'-[5-(Dibromomethyl)-1,3-phenylene]bis(2-methylpropanenitrile) 
1,3-Benzenediacetonitrile, 5-(dibromomethyl)-alpha1,alpha1,alpha3,alpha3-tetramethyl- 
2,2 inverted exclamation mark -[5-(Dibromomethyl)-1,3-phenylene]-bis(methylpropionitrile) 
5-Dibromomethyl anastrozole 
CS-T-61761 
|A,|A,|A',|A'-Tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile 
a,,a',a'-tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile 
AJUNARPIHUBZNV-UHFFFAOYSA-N 
Anastrozole Impurity E 
SCHEMBL4097848 
CTK8E9317 
DTXSID10586587 
ZINC72400603 
AKOS030255529 
RT-017275 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A