Evocalcet Impurity 2

CAT: 1596-AR-E10877-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-E10877-05Size:150

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

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CAS Number

19717-43-2

Molecular Formula

C12H10Br2N2

Molecular Weight

342.03

API Name

Evocalcet

Chemical Information

1,2-Bis(4-bromophenyl)hydrazine

CAS Number	19717-43-2
PubChem CID	257923
IUPAC Name	1,2-bis(4-bromophenyl)hydrazine
Molecular Formula	C12H10Br2N2
Molecular Weight	342.03
XLogP	4.3
Topological Polar Surface Area	24.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	175

SMILES

C1=CC(=CC=C1NNC2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C12H10Br2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,15-16H

InChIKey

OXAFDXWMDZZORA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19717-43-2

CID: 257923

Formula: C12H10Br2N2

MW: 342.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.03
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	341.91902
Monoisotopic Mass	339.92107
Topological Polar Surface Area	24.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	175
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