Dibromocyanoacetamide-13C3

CAT: 0572-TRC-D425312-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D425312-10MGSize:10 mg

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CAS Number

1286131-38-1

Synonyms

2,2-Dibromo-2-cyanoacetamide-13C3; 2,2-Dibromo-3-nitrilopropanamide-13C3; Amerstat 300-13C3; BE 3S-13C3; Biomate 723-13C3; DBNPA-13C3; Dibromonitrilo- propionamide-13C3; Dowicil QK 20-13C3; Mucosin NT-13C3; NSC 98283-13C3; X-CIDE 508-13C3;

Hazard Statement

Toxic if swallowed; UN number: UN2923; Packing Group: III

Smiles

[13C](#N)[13C]([13C](=O)N)(Br)Br

Molecular Formula

13C3H2Br2N2O

Molecular Weight

244.85

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Dibromocyanoacetamide-13C3

CAS Number	1286131-38-1
PubChem CID	71315935
IUPAC Name	2-(azanylidyne(113C)methyl)-2,2-dibromoacetamide
Molecular Formula	C3H2Br2N2O
Molecular Weight	244.85
XLogP	0.6
Topological Polar Surface Area	66.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	156

SMILES

[13C](#N)[13C]([13C](=O)N)(Br)Br

InChI

InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)/i1+1,2+1,3+1

InChIKey

UUIVKBHZENILKB-VMIGTVKRSA-N

Chemical Structure

2D Structure

CAS: 1286131-38-1

CID: 71315935

Formula: C3H2Br2N2O

MW: 244.85

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	244.85
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	244.86140
Monoisotopic Mass	242.86345
Topological Polar Surface Area	66.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	156
Isotope Atom Count	3
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

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Catalog	Name
MBS6034659-01	Dibromocyanoacetamide-13C3
009043-01	Dibromocyanoacetamide
CS-O-20017	AHD-13C3
CS-BE-00017	Testosterone 13C3
CS-T-94337	Phosphocreatine-13C3
CS-T-97223	Perindopril-13C3
CS-I-00622	Cortisone-[13C3]
CS-T-103623	Corticosterone-13C3
CS-T-103362	Carvedilol-13C3
CS-T-103357	Betaine-13C3

Dibromocyanoacetamide-13C3

Chemical Information

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