Home Halogens tert-butyl N-(6-chloro-9H-purin-2-yl)carbamate

tert-butyl N-(6-chloro-9H-purin-2-yl)carbamate

CAS No.:
309947-89-5
Catalog Number:
AG01BDQT
Molecular Formula:
C10H12ClN5O2
Molecular Weight:
269.6876
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Product Description
Catalog Number:
AG01BDQT
Chemical Name:
tert-butyl N-(6-chloro-9H-purin-2-yl)carbamate
CAS Number:
309947-89-5
Molecular Formula:
C10H12ClN5O2
Molecular Weight:
269.6876
MDL Number:
MFCD18375345
IUPAC Name:
tert-butyl N-(6-chloro-7H-purin-2-yl)carbamate
InChI:
InChI=1S/C10H12ClN5O2/c1-10(2,3)18-9(17)16-8-14-6(11)5-7(15-8)13-4-12-5/h4H,1-3H3,(H2,12,13,14,15,16,17)
InChI Key:
FVZGELOMTPFKMY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nc(Cl)c2c(n1)[nH]cn2
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.068g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.689g/mol
Monoisotopic Mass:
269.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties