VU0364770

CAT: 0127-BUP13444-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13444-01Size:10 mg

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

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CAS Number

61350-00-3

Synonyms

VU 0364770

Purity

=98%

Smiles

Clc1cccc(NC(=O)c2ccccn2)c1

Chemical Information

VU0364770

CAS Number	61350-00-3
PubChem CID	836002
IUPAC Name	N-(3-chlorophenyl)pyridine-2-carboxamide
Molecular Formula	C12H9ClN2O
Molecular Weight	232.66
XLogP	2.6
Topological Polar Surface Area	42
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	247

SMILES

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

InChI

InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)

InChIKey

SUYUTNCKIOLMAJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61350-00-3

CID: 836002

Formula: C12H9ClN2O

MW: 232.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.66
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	232.0403406
Monoisotopic Mass	232.0403406
Topological Polar Surface Area	42 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	247
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