CHDI-390576

CAT: 0607-BA4127-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA4127-5.1Size:1 mL (10 mM in DMSO)

Selected

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

Quick Request Actions

CAS Number

1629729-98-1

Form

A solid

Molecular Formula

C19H13F4N3O2

Molecular Weight

391.32

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-(2-Fluorophenyl)-N-hydroxy-2-(4-(5-(trifluoromethyl)pyrimidin-2-yl)phenyl)acetamide

CAS Number	1629729-98-1
PubChem CID	81689842
IUPAC Name	2-(2-fluorophenyl)-N-hydroxy-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide
Molecular Formula	C19H13F4N3O2
Molecular Weight	391.3
XLogP	3.3
Topological Polar Surface Area	75.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	518

SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)C3=NC=C(C=N3)C(F)(F)F)C(=O)NO)F

InChI

InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)

InChIKey

LMGDHGQJJLEAPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1629729-98-1

CID: 81689842

Formula: C19H13F4N3O2

MW: 391.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	391.3
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	391.09438931
Monoisotopic Mass	391.09438931
Topological Polar Surface Area	75.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	518
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA5845-1	CHD-5
BA5845-5	CHD-5
BA5845-10	CHD-5
MA1909-.1	Anti-CHD3 Rabbit Monoclonal Antibody
MA1908-.05	Anti-CHD3 Rabbit Monoclonal Antibody
MA1911-.05	Anti-CHD4 Rabbit Monoclonal Antibody
MA1909-.05	Anti-CHD3 Rabbit Monoclonal Antibody
MA1911-.1	Anti-CHD4 Rabbit Monoclonal Antibody
MA1908-.1	Anti-CHD3 Rabbit Monoclonal Antibody
MA1910-.1	Anti-CHD4 (5F1) Mouse Monoclonal Antibody