carbamic acid;1,2-dibromo-1-chloroprop-1-ene

C4H6Br2ClNO2 — CID 162188181

IUPACcarbamic acid;1,2-dibromo-1-chloroprop-1-ene
SMILESCC(Br)=C(Cl)Br.NC(=O)O
InChIInChI=1S/C3H3Br2Cl.CH3NO2/c1-2(4)3(5)6;2-1(3)4/h1H3;2H2,(H,3,4)
InChIKeyZPXZRWCEZMNLKT-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.83
Rot. Bonds

About carbamic acid;1,2-dibromo-1-chloroprop-1-ene

carbamic acid;1,2-dibromo-1-chloroprop-1-ene (PubChem CID 162188181) has the molecular formula C4H6Br2ClNO2 and a molecular weight of 295.36 g/mol. Its IUPAC name is carbamic acid;1,2-dibromo-1-chloroprop-1-ene.

Molecular Properties

Compound Namecarbamic acid;1,2-dibromo-1-chloroprop-1-ene
PubChem CID162188181
Molecular FormulaC4H6Br2ClNO2
Molecular Weight295.36 g/mol
Exact Mass292.85
IUPAC Namecarbamic acid;1,2-dibromo-1-chloroprop-1-ene
SMILESCC(Br)=C(Cl)Br.NC(=O)O
InChIInChI=1S/C3H3Br2Cl.CH3NO2/c1-2(4)3(5)6;2-1(3)4/h1H3;2H2,(H,3,4)
InChIKeyZPXZRWCEZMNLKT-UHFFFAOYSA-N
XLogP2.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;1,2-dibromo-1-chloroprop-1-ene?
The IUPAC name of carbamic acid;1,2-dibromo-1-chloroprop-1-ene (CID 162188181) is carbamic acid;1,2-dibromo-1-chloroprop-1-ene.
What is the SMILES notation for carbamic acid;1,2-dibromo-1-chloroprop-1-ene?
The canonical SMILES for carbamic acid;1,2-dibromo-1-chloroprop-1-ene is CC(Br)=C(Cl)Br.NC(=O)O.
What is the InChIKey of carbamic acid;1,2-dibromo-1-chloroprop-1-ene?
The InChIKey is ZPXZRWCEZMNLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Br2Cl.CH3NO2/c1-2(4)3(5)6;2-1(3)4/h1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;1,2-dibromo-1-chloroprop-1-ene?
carbamic acid;1,2-dibromo-1-chloroprop-1-ene has a molecular weight of 295.36 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1,2-dibromo-1-chloroprop-1-ene is sourced from PubChem (CID 162188181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).