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2-Fluoroadenine-13C2,15N

CAT: 0572-TRC-F587202-75MGSize: 75 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F587202-75MGSize:75 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346603-03-9
Hazard Statement
No Data Available
Smiles
Nc1nc(F)n[13c]2[15n]c[nH][13c]12
Molecular Formula
13C2 C3 H4 F 15N N4
Molecular Weight
156.096
InChI
InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)/i2+1,4+1,9+1
Additionnal Information
IUPAC name: 2-fluoro-7H-purin-6-amine
Shipping Conditions
Room Temperature

Chemical Information

2-Fluoroadenine-13C2,15N
CAS Number1346603-03-9
PubChem CID71316802
IUPAC Name2-fluoro-7H-purin-6-amine
Molecular FormulaC5H4FN5
Molecular Weight156.10
XLogP-0.1
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
C1=[15N][13C]2=NC(=NC(=[13C]2N1)N)F
InChI
InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)/i2+1,4+1,9+1
InChIKey
WKMPTBDYDNUJLF-CTEGUFHBSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoroadenine-13C2,15N
CAS: 1346603-03-9
CID: 71316802
Formula: C5H4FN5
MW: 156.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.10
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass156.04881788
Monoisotopic Mass156.04881788
Topological Polar Surface Area80.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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