Nitroethane-2,2,2-d3

CAT: 0926-UYB80204-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-UYB80204-02Size:250 mg

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

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CAS Number

1219802-04-6

Smiles

CC[N+] (=O) [O-]

Molecular Formula

C2H5NO2

Molecular Weight

78.09 g/mol

Controlled

Yes

Chemical Information

Nitroethane-2,2,2-d3

CAS Number	1219802-04-6
PubChem CID	131700175
IUPAC Name	1,1,1-trideuterio-2-nitroethane
Molecular Formula	C2H5NO2
Molecular Weight	78.09
XLogP	0.2
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	37

SMILES

[2H]C([2H])([2H])C[N+](=O)[O-]

InChI

InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3/i1D3

InChIKey

MCSAJNNLRCFZED-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 1219802-04-6

CID: 131700175

Formula: C2H5NO2

MW: 78.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	78.09
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	78.050858640
Monoisotopic Mass	78.050858640
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	37.4
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
FM67170-01	1- (2-Methoxyphenyl) -2-nitroethane
FP69890-01	1- (Phenyl) 2-nitroethane
FC66733-01	1- (2-Carboxyphenyl) -2-nitroethane
KAA52456-01	1-Bromo-2-nitroethane
FM66414-01	1- (3-Methoxyphenyl) -2-nitroethane
FD69947-01	1- (2,5-Dimethoxyphenyl) -2-nitroethane
FA65982-01	1- (4-Aminophenyl) -2-nitroethane
FD66752-01	(1- (4-Diethylamino) phenyl) -2-nitroethane
FH67363-01	1- (3-Hydroxy-4-methoxyphenyl) -2-nitroethane
NAA03132-01	Nitromethane-d3