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Home Carboxys 4-Chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester

4-Chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester

CAS No.:
944709-69-7
Catalog Number:
AG00II6Z
Molecular Formula:
C8H6ClN3O2
Molecular Weight:
211.6051
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$144
- +
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1313
- +
Product Description
Catalog Number:
AG00II6Z
Chemical Name:
4-Chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester
CAS Number:
944709-69-7
Molecular Formula:
C8H6ClN3O2
Molecular Weight:
211.6051
MDL Number:
MFCD09702013
IUPAC Name:
methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C8H6ClN3O2/c1-14-8(13)5-2-4-6(9)10-3-11-7(4)12-5/h2-3H,1H3,(H,10,11,12)
InChI Key:
XMIPXNXFZLDDPZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)ncnc2Cl
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.605g/mol
Monoisotopic Mass:
211.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties