HX1

CAT: 0013-GTR19199147-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19199147-01Size:25 mg

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Description

HX1

CAS Number

1520083-61-7

Smiles

C (NC=1NC (=O) C (C (NO) =O) =CN1) C2=CC (C (F) (F) F) =CC (C (F) (F) F) =C2

Molecular Formula

C14H10F6N4O3

Molecular Weight

396.24

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-({[3,5-bis(trifluoromethyl)phenyl]methyl}amino)-N-hydroxy-4-oxo-1,4-dihydropyrimidine-5-carboxamide

CAS Number	1520083-61-7
PubChem CID	71777699
IUPAC Name	2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-N-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide
Molecular Formula	C14H10F6N4O3
Molecular Weight	396.24
XLogP	1.9
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	636

SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO

InChI

InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)

InChIKey

FNNKXGWDBVPDKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1520083-61-7

CID: 71777699

Formula: C14H10F6N4O3

MW: 396.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	396.24
XLogP3	1.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	396.06570917
Monoisotopic Mass	396.06570917
Topological Polar Surface Area	103 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	636
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

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