Products for Research Use Only

Ap44mSe

CAT: 0013-GTR19198238-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198238-01Size:25 mg
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Description
Ap44mSe
CAS Number
960403-72-9
Smiles
C (=N\NC (N (C) C) =[Se]) (\C) /C1=CC=CC=N1
Molecular Formula
C10H14N4Se
Molecular Weight
269.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ap44mSe
CAS Number960403-72-9
PubChem CID6329136
Molecular FormulaC10H13N4Se
Molecular Weight268.21
Topological Polar Surface Area40.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity260
SMILES
C/C(=N\N=C(\N(C)C)/[Se])/C1=CC=CC=N1
InChI
InChI=1S/C10H13N4Se/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3/h4-7H,1-3H3/b12-8+,13-10-
InChIKey
YVSNJTUEWUFWSS-LSCZQMSZSA-N
Chemical Structure
2D Structure
2D structure of Ap44mSe
CAS: 960403-72-9
CID: 6329136
Formula: C10H13N4Se
MW: 268.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.21
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass269.03054
Monoisotopic Mass269.03054
Topological Polar Surface Area40.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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