2-MCPD-d5

CAT: 0926-FM171237-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FM171237-02Size:5 mg

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CAS Number

1216764-05-4

Smiles

[2H]C ([2H]) (C ([2H]) (C ([2H]) ([2H]) O) Cl) O

Molecular Formula

C3H2ClD5O2

Molecular Weight

115.57 g/mol

Controlled

Chemical Information

2-Chloro-1,3-propanediol-d5 (Major)

CAS Number	1216764-05-4
PubChem CID	57370034
IUPAC Name	2-chloro-1,1,2,3,3-pentadeuteriopropane-1,3-diol
Molecular Formula	C3H7ClO2
Molecular Weight	115.57
XLogP	-1
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	28

SMILES

[2H]C([2H])(C([2H])(C([2H])([2H])O)Cl)O

InChI

InChI=1S/C3H7ClO2/c4-3(1-5)2-6/h3,5-6H,1-2H2/i1D2,2D2,3D

InChIKey

DYPJJAAKPQKWTM-UXXIZXEISA-N

Chemical Structure

2D Structure

CAS: 1216764-05-4

CID: 57370034

Formula: C3H7ClO2

MW: 115.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.57
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	115.0448409
Monoisotopic Mass	115.0448409
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	28
Isotope Atom Count	5
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
FM171231-01	3-MCPD-d5
GAA95445-01	2-Chlorobenzhydrol-d5
YFC06576	2-Nonanone-d5
AAA10262-01	1,2-Diacetin-d5
VAA22524	2-Ethylpentanoic Acid-d5
FN176807-01	2-NP-AMOZ-d5
CAA39359-01	2-Muricholic Acid-d5
WDC59875-01	2-Desisopropyl-2-phenyl repaglinide-d5
YCA73805-01	Phenobarbital-d5 (ethyl-d5)
TAA06578-01	1-Phenethyl-2-pyridone-d5

Catalog	Name
MBS393375-01	2-Chloro-1,3-propanediol-d5, (2-MCPD-d5)
MBS393376-01	3-Chloro-1,2-propanediol-d5, (3-MCPD-d5)
MBS394612-01	1,2-Distearoyl-3-Chloropropanediol-d5, (3-MCPD-d5-1,2-stearoyl)
MBS393380-01	2-Chloro-1,3-distearoyl-d5, (2-MCPD-d5-1,3-stearoyl)
MBS393381-01	3-Chloro-1,2-dipalmitoyl-d5, (3-MCPD-d5-1,2-palmitoyl)
HY-W587888-01	MCPD dioleate
MBS393373-01	2-Chloro-1,3-propanediol, (2-MCPD)
MBS393374-01	3-Chloro-1,2-propanediol, (3-MCPD)
MBS393377-01	2-Chloro-1,3-distearoyl, (2-MCPD-1,3-bis-stearoyl)
MBS393379-01	2-Chloro-1,3-dipalmitoyl, (2-MCPD-1,3-bis-palmitoyl)