NDMC101

CAT: 0127-BUP10930-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10930-05Size:100 mg

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

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CAS Number

1308631-40-4

Purity

=98%

Smiles

Oc1ccccc1C(=O)Nc1ccc(Cl)cc1F

Chemical Information

N-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide

structure in first source

CAS Number	1308631-40-4
PubChem CID	60202556
IUPAC Name	N-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide
Molecular Formula	C13H9ClFNO2
Molecular Weight	265.67
XLogP	4
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	303

SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)O

InChI

InChI=1S/C13H9ClFNO2/c14-8-5-6-11(10(15)7-8)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,(H,16,18)

InChIKey

NUQWCDAXACRITO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1308631-40-4

CID: 60202556

Formula: C13H9ClFNO2

MW: 265.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.67
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	265.0305844
Monoisotopic Mass	265.0305844
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	303
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
MBS5759337	NDMC101