IDO-IN-1 2mg

CAT: 0628-A20523-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A20523-2Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

914638-30-5

Chemical Information

4-Amino-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide

CAS Number	914638-30-5
PubChem CID	135741412
IUPAC Name	4-amino-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Molecular Formula	C9H7BrFN5O2
Molecular Weight	316.09
XLogP	1.7
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	321

SMILES

C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Br)F

InChI

InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)

InChIKey

ORHZJUSHZUCMKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 914638-30-5

CID: 135741412

Formula: C9H7BrFN5O2

MW: 316.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.09
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	314.97672
Monoisotopic Mass	314.97672
Topological Polar Surface Area	110 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes