BDP TR hydrazide

CAT: 0127-BIPG2153-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG2153-02Size:25 mg

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

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CAS Number

2183473-49-4

Purity

95%

Smiles

[B-]1 (N2C (=CC=C2C3=CC=CS3) C=C4[N+]1=C (C=C4) C5=CC=C (C=C5) OCC (=O) N[NH3+]) (F) F.[Cl-]

Chemical Information

BDP TR hydrazide

CAS Number	2183473-49-4
PubChem CID	131954303
IUPAC Name	[[2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]acetyl]amino]azanium chloride
Molecular Formula	C21H18BClF2N4O2S
Molecular Weight	474.7
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	828

SMILES

[B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)N[NH3+])(F)F.[Cl-]

InChI

InChI=1S/C21H17BF2N4O2S.ClH/c23-22(24)27-15(12-16-6-10-19(28(16)22)20-2-1-11-31-20)5-9-18(27)14-3-7-17(8-4-14)30-13-21(29)26-25;/h1-12H,13,25H2,(H,26,29);1H

InChIKey

CHLVWWMHVHYZAI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2183473-49-4

CID: 131954303

Formula: C21H18BClF2N4O2S

MW: 474.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	474.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	474.0900112
Monoisotopic Mass	474.0900112
Topological Polar Surface Area	102 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	828
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	2
Compound Is Canonicalized	Yes

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BDP TR hydrazide

Chemical Information

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