carbamoyl chloride;carbonochloridic acid

C2H3Cl2NO3 — CID 88841427

IUPACcarbamoyl chloride;carbonochloridic acid
SMILESNC(=O)Cl.O=C(O)Cl
InChIInChI=1S/CH2ClNO.CHClO2/c2*2-1(3)4/h(H2,3,4);(H,3,4)
InChIKeyIIUXWQICPUCKPB-UHFFFAOYSA-N
MW159.96 g/mol
LogP1.21
Rot. Bonds

About carbamoyl chloride;carbonochloridic acid

carbamoyl chloride;carbonochloridic acid (PubChem CID 88841427) has the molecular formula C2H3Cl2NO3 and a molecular weight of 159.96 g/mol. Its IUPAC name is carbamoyl chloride;carbonochloridic acid.

Molecular Properties

Compound Namecarbamoyl chloride;carbonochloridic acid
PubChem CID88841427
Molecular FormulaC2H3Cl2NO3
Molecular Weight159.96 g/mol
Exact Mass158.95
IUPAC Namecarbamoyl chloride;carbonochloridic acid
SMILESNC(=O)Cl.O=C(O)Cl
InChIInChI=1S/CH2ClNO.CHClO2/c2*2-1(3)4/h(H2,3,4);(H,3,4)
InChIKeyIIUXWQICPUCKPB-UHFFFAOYSA-N
XLogP1.21
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.96
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

bis(carbonochloridic acid);sulfane
CID 172835301
carbonochloridic acid;methanol
CID 159093381
bis(carbonochloridic acid);ethane
CID 175169391
benzene;hexakis(carbonochloridic acid)
CID 23163830
carbonochloridic acid;cycloundecane
CID 88753248
carbamoyl chloride;piperazine
CID 22220031
carbamic acid;yttrium
CID 20702274
carbamic acid;plumbane
CID 173013217
carbamic acid;copper
CID 87387020
carbamic acid;cobalt
CID 87314881
carbamic acid;iridium
CID 58983452
carbamic acid;indigane
CID 174683885

Frequently Asked Questions

What is the IUPAC name of carbamoyl chloride;carbonochloridic acid?
The IUPAC name of carbamoyl chloride;carbonochloridic acid (CID 88841427) is carbamoyl chloride;carbonochloridic acid.
What is the SMILES notation for carbamoyl chloride;carbonochloridic acid?
The canonical SMILES for carbamoyl chloride;carbonochloridic acid is NC(=O)Cl.O=C(O)Cl.
What is the InChIKey of carbamoyl chloride;carbonochloridic acid?
The InChIKey is IIUXWQICPUCKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClNO.CHClO2/c2*2-1(3)4/h(H2,3,4);(H,3,4).
What are the key properties of carbamoyl chloride;carbonochloridic acid?
carbamoyl chloride;carbonochloridic acid has a molecular weight of 159.96 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl chloride;carbonochloridic acid is sourced from PubChem (CID 88841427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).