BT317

CAT: 0127-BUP24174-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP24174-04Size:25 mg

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

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CAS Number

38485-94-8

Synonyms

BT 317, BT-317

Purity

≥98%

Smiles

O=C1OC=2C=CC (Cl) =CC2C=C1C (=O) NC3=CC=C (OC) C=C3

Chemical Information

6-chloro-N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide

CAS Number	38485-94-8
PubChem CID	792588
IUPAC Name	6-chloro-N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide
Molecular Formula	C17H12ClNO4
Molecular Weight	329.7
XLogP	3.6
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	499

SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O

InChI

InChI=1S/C17H12ClNO4/c1-22-13-5-3-12(4-6-13)19-16(20)14-9-10-8-11(18)2-7-15(10)23-17(14)21/h2-9H,1H3,(H,19,20)

InChIKey

KELHHPZZFSQBQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38485-94-8

CID: 792588

Formula: C17H12ClNO4

MW: 329.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.7
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	329.0454856
Monoisotopic Mass	329.0454856
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	499
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
T88331-01	BT317