bromomethyl dihydrogen phosphite

CH4BrO3P — CID 151002101

IUPACbromomethyl dihydrogen phosphite
SMILESOP(O)OCBr
InChIInChI=1S/CH4BrO3P/c2-1-5-6(3)4/h3-4H,1H2
InChIKeyNEDKVAGGHMDNBB-UHFFFAOYSA-N
MW174.92 g/mol
LogP0.57
Rot. Bonds2

About bromomethyl dihydrogen phosphite

bromomethyl dihydrogen phosphite (PubChem CID 151002101) has the molecular formula CH4BrO3P and a molecular weight of 174.92 g/mol. Its IUPAC name is bromomethyl dihydrogen phosphite.

Molecular Properties

Compound Namebromomethyl dihydrogen phosphite
PubChem CID151002101
Molecular FormulaCH4BrO3P
Molecular Weight174.92 g/mol
Exact Mass173.91
IUPAC Namebromomethyl dihydrogen phosphite
SMILESOP(O)OCBr
InChIInChI=1S/CH4BrO3P/c2-1-5-6(3)4/h3-4H,1H2
InChIKeyNEDKVAGGHMDNBB-UHFFFAOYSA-N
XLogP0.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.92
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enyl dihydrogen phosphite);dihydrochloride
CID 173452860
2,2-bis(dihydroxyphosphanyloxymethyl)butyl dihydrogen phosphite
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2-trimethylsilylethyl dihydrogen phosphite
CID 174402489
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid
CID 88505588
(2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite
CID 57030773
ethyl dihydrogen phosphite;bis(N-ethylethanamine)
CID 172732787
2-(dimethylamino)ethyl dihydrogen phosphite
CID 21448901
CID 88825483
CID 88825483
1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite
CID 91479739
pentyl dihydrogen phosphite;zinc
CID 88839337
(3-amino-2-hydroxypropyl) dihydrogen phosphite
CID 174521537
2-(trifluoromethoxy)ethyl dihydrogen phosphite
CID 175196611

Frequently Asked Questions

What is the IUPAC name of bromomethyl dihydrogen phosphite?
The IUPAC name of bromomethyl dihydrogen phosphite (CID 151002101) is bromomethyl dihydrogen phosphite.
What is the SMILES notation for bromomethyl dihydrogen phosphite?
The canonical SMILES for bromomethyl dihydrogen phosphite is OP(O)OCBr.
What is the InChIKey of bromomethyl dihydrogen phosphite?
The InChIKey is NEDKVAGGHMDNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4BrO3P/c2-1-5-6(3)4/h3-4H,1H2.
What are the key properties of bromomethyl dihydrogen phosphite?
bromomethyl dihydrogen phosphite has a molecular weight of 174.92 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl dihydrogen phosphite is sourced from PubChem (CID 151002101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).