sodium chloro(phenylmethoxycarbonyl)azanide

C8H7ClNNaO2 — CID 10976670

IUPACsodium chloro(phenylmethoxycarbonyl)azanide
SMILESO=C([N-]Cl)OCc1ccccc1.[Na+]
InChIInChI=1S/C8H8ClNO2.Na/c9-10-8(11)12-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11);/q;+1/p-1
InChIKeyLRZJCGQLCBRWAK-UHFFFAOYSA-M
MW207.59 g/mol
LogP-0.15
Rot. Bonds2

About sodium chloro(phenylmethoxycarbonyl)azanide

sodium chloro(phenylmethoxycarbonyl)azanide (PubChem CID 10976670) has the molecular formula C8H7ClNNaO2 and a molecular weight of 207.59 g/mol. Its IUPAC name is sodium chloro(phenylmethoxycarbonyl)azanide.

Molecular Properties

Compound Namesodium chloro(phenylmethoxycarbonyl)azanide
PubChem CID10976670
Molecular FormulaC8H7ClNNaO2
Molecular Weight207.59 g/mol
Exact Mass207.01
IUPAC Namesodium chloro(phenylmethoxycarbonyl)azanide
SMILESO=C([N-]Cl)OCc1ccccc1.[Na+]
InChIInChI=1S/C8H8ClNO2.Na/c9-10-8(11)12-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11);/q;+1/p-1
InChIKeyLRZJCGQLCBRWAK-UHFFFAOYSA-M
XLogP-0.15
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.59
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium chloro(phenylmethoxycarbonyl)azanide?
The IUPAC name of sodium chloro(phenylmethoxycarbonyl)azanide (CID 10976670) is sodium chloro(phenylmethoxycarbonyl)azanide.
What is the SMILES notation for sodium chloro(phenylmethoxycarbonyl)azanide?
The canonical SMILES for sodium chloro(phenylmethoxycarbonyl)azanide is O=C([N-]Cl)OCc1ccccc1.[Na+].
What is the InChIKey of sodium chloro(phenylmethoxycarbonyl)azanide?
The InChIKey is LRZJCGQLCBRWAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8ClNO2.Na/c9-10-8(11)12-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11);/q;+1/p-1.
What are the key properties of sodium chloro(phenylmethoxycarbonyl)azanide?
sodium chloro(phenylmethoxycarbonyl)azanide has a molecular weight of 207.59 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium chloro(phenylmethoxycarbonyl)azanide is sourced from PubChem (CID 10976670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).