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CAT: 0127-BUP08996-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08996-01Size:5 mg

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

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CAS Number

890402-73-0

Purity

=98%

Smiles

CN(C)c1ccc(cc1)C(=O)On1nnc2ccccc12

Chemical Information

Benzotriazol-1-yl 4-(dimethylamino)benzoate

CAS Number	890402-73-0
PubChem CID	15959236
IUPAC Name	benzotriazol-1-yl 4-(dimethylamino)benzoate
Molecular Formula	C15H14N4O2
Molecular Weight	282.30
XLogP	3.1
Topological Polar Surface Area	60.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	369

SMILES

CN(C)C1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3

InChIKey

UOITWBIZHQLMTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 890402-73-0

CID: 15959236

Formula: C15H14N4O2

MW: 282.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.30
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	282.11167570
Monoisotopic Mass	282.11167570
Topological Polar Surface Area	60.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	369
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
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BUP20635-01	Glutathione ethyl ester TFA (92614-59-0Free base)
OR1045597-01	1,5,10,14-Tetraoxadispiro[5.2.59.26]hexadecane