OAC3

CAT: 0127-BUP11205-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11205-01Size:10 mg

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

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CAS Number

182564-41-6

Synonyms

4-fluoro-N- (1H-indol-5-yl) benzamide

Purity

=95%

Smiles

Fc1ccc(cc1)C(=O)Nc1ccc2[nH]ccc2c1

Chemical Information

4-fluoro-N-(1H-indol-5-yl)benzamide

CAS Number	182564-41-6
PubChem CID	2814506
IUPAC Name	4-fluoro-N-(1H-indol-5-yl)benzamide
Molecular Formula	C15H11FN2O
Molecular Weight	254.26
XLogP	2.8
Topological Polar Surface Area	44.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	328

SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)NC=C3)F

InChI

InChI=1S/C15H11FN2O/c16-12-3-1-10(2-4-12)15(19)18-13-5-6-14-11(9-13)7-8-17-14/h1-9,17H,(H,18,19)

InChIKey

RQJUZWRDCVBOMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 182564-41-6

CID: 2814506

Formula: C15H11FN2O

MW: 254.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.26
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	254.08554114
Monoisotopic Mass	254.08554114
Topological Polar Surface Area	44.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	328
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

Catalog	Name
MBS3616061-01	OAC3