Home Carboxes 1363381-59-2
1363381-59-2,MFCD22205848
Catalog No.:AA0011MW
1363381-59-2 | 1-(4-Chloro-7h-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$239.00   $167.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0011MW
Chemical Name:
1-(4-Chloro-7h-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone
CAS Number:
1363381-59-2
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD22205848
IUPAC Name:
1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone
InChI:
InChI=1S/C8H6ClN3O/c1-4(13)5-2-10-8-6(5)7(9)11-3-12-8/h2-3H,1H3,(H,10,11,12)
InChI Key:
KXOFBMPFLUKIJL-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c2c1c(Cl)ncn2
Properties
Computed Properties
 
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1363381-59-2 
5-ACETYL-4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE 
ZINC90756328 
AKOS022176150 
DS-7650 
FCH1614157 
PB33590 
TRA0002188 
DA-19000 
SY019146 
AJ-129196 
AX8223282 
1-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone 
TC-307840 
CS-0054795 
FT-0763742 
Q-3660 
Z-4510 
MFCD22205848 (97+%) 
1-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethan-1-one 
Ethanone, 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)- 
C8H6ClN3O 
120-74-1 
AK143389 
4-Chloro-5-acetyl-1H-pyrrolo[2,3-d]pyrimidine 
SCHEMBL12777831 
DTXSID40732752 
KS-00000C3U 
6309AJ 
MFCD22205848 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A