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1192711-88-8 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 2-chloro-
CAS No: 1192711-88-8 Catalog No: AG000IHS MDL No:MFCD20687314
Product Description
Catalog Number:
AG000IHS
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 2-chloro-
CAS Number:
1192711-88-8
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
MDL Number:
MFCD20687314
IUPAC Name:
2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C6H5ClN4/c7-6-10-4(8)3-1-2-9-5(3)11-6/h1-2H,(H3,8,9,10,11)
InChI Key:
IVGLNWQATTZNOH-UHFFFAOYSA-N
SMILES:
Clc1nc(N)c2c(n1)[nH]cc2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.584g/mol
Monoisotopic Mass:
168.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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