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Home Sulfos Methyl 4-chloro-7-phenylsulfonyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Methyl 4-chloro-7-phenylsulfonyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate

CAS No.:
1363382-96-0
Catalog Number:
AG0011QS
Molecular Formula:
C14H10ClN3O4S
Molecular Weight:
351.7649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$307
- +
5g
97%
1 week
United States
$899
- +
Product Description
Catalog Number:
AG0011QS
Chemical Name:
Methyl 4-chloro-7-phenylsulfonyl-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CAS Number:
1363382-96-0
Molecular Formula:
C14H10ClN3O4S
Molecular Weight:
351.7649
MDL Number:
MFCD22566210
IUPAC Name:
methyl 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C14H10ClN3O4S/c1-22-14(19)11-7-10-12(15)16-8-17-13(10)18(11)23(20,21)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
LTIAEVRVNFJRQA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)ncnc2Cl
Properties
Complexity:
547  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.008g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.761g/mol
Monoisotopic Mass:
351.008g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties