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129872-83-9 | 5H-Pyrrolo[3,2-d]pyrimidine, 2,4-dichloro-5-(phenylmethyl)-
CAS No: 129872-83-9 Catalog No: AG000TR2 MDL No:
Product Description
Catalog Number:
AG000TR2
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine, 2,4-dichloro-5-(phenylmethyl)-
CAS Number:
129872-83-9
Molecular Formula:
C13H9Cl2N3
Molecular Weight:
278.1367
IUPAC Name:
5-benzyl-2,4-dichloropyrrolo[3,2-d]pyrimidine
InChI:
InChI=1S/C13H9Cl2N3/c14-12-11-10(16-13(15)17-12)6-7-18(11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
NFNHWZVKVVHLFG-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)ccn2Cc1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.136g/mol
Monoisotopic Mass:
277.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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