Bromoethanol D4

CAT: 0926-GDA76455-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-GDA76455-02Size:10 g

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CAS Number

81764-55-8

MDL Number

MFCD00142881

Smiles

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

Molecular Formula

C2HD4BrO

Molecular Weight

128.99 g/mol

Controlled

Chemical Information

2-Bromoethanol-1,1,2,2-d4

See also: Ethan-1,1,2,2-d4-ol, 2-bromo- (annotation moved to).

CAS Number	81764-55-8
PubChem CID	12359290
IUPAC Name	2-bromo-1,1,2,2-tetradeuterioethanol
Molecular Formula	C2H5BrO
Molecular Weight	128.99
XLogP	0.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	4
Formal Charge	0
Complexity	10

SMILES

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

InChI

InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/i1D2,2D2

InChIKey

LDLCZOVUSADOIV-LNLMKGTHSA-N

Chemical Structure

2D Structure

CAS: 81764-55-8

CID: 12359290

Formula: C2H5BrO

MW: 128.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.99
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	127.97748
Monoisotopic Mass	127.97748
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	10
Isotope Atom Count	4
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
159450	2-Bromoethanol
HY-150535S-01	Bromoethanol-d4
502017	2‐BROMOETHANOL
TRC-B684737-500MG	2-Bromoethanol-d4
B20860-01	2-Bromoethanol 96%
0501D 00500	2-Bromoethanol 95% For Synthesis
sc-256098	2-Bromoethanol-1,1,2,2-d4
sc-212849	(S) -1- (4-Benzyloxy-3-nitrophenyl) -2-bromoethanol
262478-01	S-1- (4-Benzyloxy-3-nitrophenyl) -2-bromoethanol
TRC-B287160-250MG	(S)-1-(4-Benzyloxy-3-nitrophenyl)-2-bromoethanol