BPTF-IN-BZ1 5mg

CAT: 0628-A24383-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A24383-5Size:5 mg

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

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CAS Number

2766623-38-3

Chemical Information

Bptf-IN-BZ1

CAS Number	2766623-38-3
PubChem CID	162640908
IUPAC Name	5-[4-(2-aminoethyl)anilino]-4-chloro-2-methylpyridazin-3-one
Molecular Formula	C13H15ClN4O
Molecular Weight	278.74
XLogP	1.4
Topological Polar Surface Area	70.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	399

SMILES

CN1C(=O)C(=C(C=N1)NC2=CC=C(C=C2)CCN)Cl

InChI

InChI=1S/C13H15ClN4O/c1-18-13(19)12(14)11(8-16-18)17-10-4-2-9(3-5-10)6-7-15/h2-5,8,17H,6-7,15H2,1H3

InChIKey

UOQAFGWMKNIVAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2766623-38-3

CID: 162640908

Formula: C13H15ClN4O

MW: 278.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.74
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	278.0934388
Monoisotopic Mass	278.0934388
Topological Polar Surface Area	70.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	399
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