1-bromo-2-chloropropane;2-chloropropane

C6H13BrCl2 — CID 174371360

IUPAC1-bromo-2-chloropropane;2-chloropropane
SMILESCC(C)Cl.CC(Cl)CBr
InChIInChI=1S/C3H6BrCl.C3H7Cl/c1-3(5)2-4;1-3(2)4/h3H,2H2,1H3;3H,1-2H3
InChIKeyMJAOARUQFXNCKR-UHFFFAOYSA-N
MW235.98 g/mol
LogP3.64
Rot. Bonds1

About 1-bromo-2-chloropropane;2-chloropropane

1-bromo-2-chloropropane;2-chloropropane (PubChem CID 174371360) has the molecular formula C6H13BrCl2 and a molecular weight of 235.98 g/mol. Its IUPAC name is 1-bromo-2-chloropropane;2-chloropropane.

Molecular Properties

Compound Name1-bromo-2-chloropropane;2-chloropropane
PubChem CID174371360
Molecular FormulaC6H13BrCl2
Molecular Weight235.98 g/mol
Exact Mass233.96
IUPAC Name1-bromo-2-chloropropane;2-chloropropane
SMILESCC(C)Cl.CC(Cl)CBr
InChIInChI=1S/C3H6BrCl.C3H7Cl/c1-3(5)2-4;1-3(2)4/h3H,2H2,1H3;3H,1-2H3
InChIKeyMJAOARUQFXNCKR-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.98
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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azane;2-bromo-1,1-dichloroethane
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CID 161263882
(2R)-1-bromo-2-chlorobutane
CID 57480694
2-chloro-N,N-bis(2-chloropropyl)propan-1-amine;hydrochloride
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(2R)-1-bromo-3-chloro-2-methylpropane
CID 642183
(1R)-1-bromo-1-chloroethane
CID 96570687
1-bromo-6-chloroheptane
CID 66509132
bromo-chloro-dimethylphosphanium
CID 23415191
1,2-dichloropropane;titanium
CID 88762967
1-bromopropan-2-ol
CID 29740
2-chlorobutane;silane
CID 174414093

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloropropane;2-chloropropane?
The IUPAC name of 1-bromo-2-chloropropane;2-chloropropane (CID 174371360) is 1-bromo-2-chloropropane;2-chloropropane.
What is the SMILES notation for 1-bromo-2-chloropropane;2-chloropropane?
The canonical SMILES for 1-bromo-2-chloropropane;2-chloropropane is CC(C)Cl.CC(Cl)CBr.
What is the InChIKey of 1-bromo-2-chloropropane;2-chloropropane?
The InChIKey is MJAOARUQFXNCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrCl.C3H7Cl/c1-3(5)2-4;1-3(2)4/h3H,2H2,1H3;3H,1-2H3.
What are the key properties of 1-bromo-2-chloropropane;2-chloropropane?
1-bromo-2-chloropropane;2-chloropropane has a molecular weight of 235.98 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloropropane;2-chloropropane is sourced from PubChem (CID 174371360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).