4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene

C10H9Cl2N3 — CID 169461583

IUPAC4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
SMILES[N-]=[N+]=NCC=Cc1ccc(Cl)c(CCl)c1
InChIInChI=1S/C10H9Cl2N3/c11-7-9-6-8(3-4-10(9)12)2-1-5-14-15-13/h1-4,6H,5,7H2
InChIKeyAQFNLBDYJCACHS-UHFFFAOYSA-N
MW242.11 g/mol
LogP4.40
Rot. Bonds4

About 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene

4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene (PubChem CID 169461583) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
PubChem CID169461583
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
SMILES[N-]=[N+]=NCC=Cc1ccc(Cl)c(CCl)c1
InChIInChI=1S/C10H9Cl2N3/c11-7-9-6-8(3-4-10(9)12)2-1-5-14-15-13/h1-4,6H,5,7H2
InChIKeyAQFNLBDYJCACHS-UHFFFAOYSA-N
XLogP4.40
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
CID 169461630
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
4-[4-chloro-3-(chloromethyl)phenyl]but-3-en-1-ol
CID 170476378
2-[5-(3-azidoprop-1-enyl)-2-fluorophenyl]acetonitrile
CID 169462095
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878
6-(3-azidoprop-1-enyl)-2-chloro-1,3-benzothiazole
CID 169461926
4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile
CID 169461754
2-[5-(3-azidoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169462549
5-(3-azidoprop-1-enyl)isoindole-1,3-dione
CID 169462453
5-(3-azidoprop-1-enyl)-1-benzofuran
CID 169461862

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene?
The IUPAC name of 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene (CID 169461583) is 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene is [N-]=[N+]=NCC=Cc1ccc(Cl)c(CCl)c1.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene?
The InChIKey is AQFNLBDYJCACHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-7-9-6-8(3-4-10(9)12)2-1-5-14-15-13/h1-4,6H,5,7H2.
What are the key properties of 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene?
4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene has a molecular weight of 242.11 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene is sourced from PubChem (CID 169461583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).