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866331-12-6 | 1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-methoxy-5-nitro-
CAS No: 866331-12-6 Catalog No: AG004KZK MDL No:
Product Description
Catalog Number:
AG004KZK
Chemical Name:
1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-methoxy-5-nitro-
CAS Number:
866331-12-6
Molecular Formula:
C7H7N5O3
Molecular Weight:
209.1622
IUPAC Name:
4-methoxy-5-nitro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
InChI:
InChI=1S/C7H7N5O3/c1-15-6-4-3(12(13)14)2-9-5(4)10-7(8)11-6/h2H,1H3,(H3,8,9,10,11)
InChI Key:
CCOCBNYXZGXSBW-UHFFFAOYSA-N
SMILES:
COc1nc(N)[nH]c2c1c(cn2)[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.165g/mol
Monoisotopic Mass:
209.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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