1,3-Dibromopropane-13C3

CAT: 0572-TRC-D573491-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D573491-50MGSize:50 mg

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CAS Number

286013-09-0

Hazard Statement

No Data Available

Smiles

Br[13C]([H])([H])[13C]([H])([H])[13C]([H])([H])Br

Molecular Formula

13C3 H6 Br2

Molecular Weight

204.89

Chemical Information

1,3-dibromo(1,2,3-13C3)propane

CAS Number	286013-09-0
PubChem CID	71309104
IUPAC Name	1,3-dibromo(1,2,3-13C3)propane
Molecular Formula	C3H6Br2
Molecular Weight	204.87
XLogP	2.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	5
Formal Charge	0
Complexity	12

SMILES

[13CH2]([13CH2]Br)[13CH2]Br

InChI

InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2/i1+1,2+1,3+1

InChIKey

VEFLKXRACNJHOV-VMIGTVKRSA-N

Chemical Structure

2D Structure

CAS: 286013-09-0

CID: 71309104

Formula: C3H6Br2

MW: 204.87

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.87
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	204.89164
Monoisotopic Mass	202.89369
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	12.4
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

Catalog	Name
MBS5799129-01	1,3-Dibromopropane
904003	1,3‐DIBROMOPROPANE
CS-T-52535	1,3-Dibromopropane D6
158728	1,3-Dibromopropane-d6
D10340	1,3-Dibromopropane 98%
OR1078834-01	1,2-Dibromopropane
34890-01	1,3-Dibromopropane pure, 99%
OR1177	3-Chloro-1,2-dibromopropane
0955F 00500	1,3-Dibromopropane 99% For Synthesis
OR1025606-01	Sodium 2,3-Dibromopropane-1-Sulfonate