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944709-69-7 | methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CAS No: 944709-69-7 Catalog No: AG00II6Z MDL No:MFCD09702013
Product Description
Catalog Number:
AG00II6Z
Chemical Name:
methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
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
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