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1004992-44-2 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethyl-
CAS No: 1004992-44-2 Catalog No: AG00024N MDL No:MFCD18375135
Product Description
Catalog Number:
AG00024N
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethyl-
CAS Number:
1004992-44-2
Molecular Formula:
C8H8ClN3
Molecular Weight:
181.6222
MDL Number:
MFCD18375135
IUPAC Name:
4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C8H8ClN3/c1-2-5-3-10-8-6(5)7(9)11-4-12-8/h3-4H,2H2,1H3,(H,10,11,12)
InChI Key:
HXTUOLGGMWNTJZ-UHFFFAOYSA-N
SMILES:
CCc1c[nH]c2c1c(Cl)ncn2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.623g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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