MUT056399

CAT: 0607-BA1338-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1338-10Size:10 mg

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

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CAS Number

1269055-85-7

Form

A solid

Molecular Formula

C15H13F2NO3

Molecular Weight

293.27

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Fab-001

a FabI inhibitor with antibacterial activity; structure in first source

CAS Number	1269055-85-7
PubChem CID	44208849
IUPAC Name	4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluorobenzamide
Molecular Formula	C15H13F2NO3
Molecular Weight	293.26
XLogP	3
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	369

SMILES

CCC1=CC(=C(C=C1F)OC2=C(C=C(C=C2)C(=O)N)F)O

InChI

InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)

InChIKey

QUHARGDBJJUOEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1269055-85-7

CID: 44208849

Formula: C15H13F2NO3

MW: 293.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.26
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	293.08634960
Monoisotopic Mass	293.08634960
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	369
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