(3,4-dichlorophenyl) nitrite

C6H3Cl2NO2 — CID 174629361

IUPAC(3,4-dichlorophenyl) nitrite
SMILESO=NOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2NO2/c7-5-2-1-4(11-9-10)3-6(5)8/h1-3H
InChIKeySCOFQEOIPNMQEC-UHFFFAOYSA-N
MW192.00 g/mol
LogP3.05
Rot. Bonds2

About (3,4-dichlorophenyl) nitrite

(3,4-dichlorophenyl) nitrite (PubChem CID 174629361) has the molecular formula C6H3Cl2NO2 and a molecular weight of 192.00 g/mol. Its IUPAC name is (3,4-dichlorophenyl) nitrite.

Molecular Properties

Compound Name(3,4-dichlorophenyl) nitrite
PubChem CID174629361
Molecular FormulaC6H3Cl2NO2
Molecular Weight192.00 g/mol
Exact Mass190.95
IUPAC Name(3,4-dichlorophenyl) nitrite
SMILESO=NOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2NO2/c7-5-2-1-4(11-9-10)3-6(5)8/h1-3H
InChIKeySCOFQEOIPNMQEC-UHFFFAOYSA-N
XLogP3.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.00
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichlorophenyl) hypoiodite
CID 142013696
tris(3,4-dichlorophenyl) phosphate
CID 101310939
4-(bromomethoxy)-1,2-dichlorobenzene
CID 22961270
(4-methoxyphenyl) nitrite
CID 118559618
(3,4-dichlorophenyl) 2-chloroacetate
CID 532462
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
nitrous acid;1,2,4-trichlorobenzene
CID 174763822
(3,4-dichlorophenyl) 3-methylbut-2-enoate
CID 532360
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
(3,4-dichlorophenyl) (E)-but-2-enoate
CID 12664415
3-(3,4-dichlorophenoxy)propane-1-thiol
CID 79019672
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) nitrite?
The IUPAC name of (3,4-dichlorophenyl) nitrite (CID 174629361) is (3,4-dichlorophenyl) nitrite.
What is the SMILES notation for (3,4-dichlorophenyl) nitrite?
The canonical SMILES for (3,4-dichlorophenyl) nitrite is O=NOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl) nitrite?
The InChIKey is SCOFQEOIPNMQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(11-9-10)3-6(5)8/h1-3H.
What are the key properties of (3,4-dichlorophenyl) nitrite?
(3,4-dichlorophenyl) nitrite has a molecular weight of 192.00 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) nitrite is sourced from PubChem (CID 174629361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).