4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid

C10H10ClNO3 — CID 67894642

IUPAC4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid
SMILESC/C=C\Oc1cc(N)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-2-3-15-9-5-8(12)7(11)4-6(9)10(13)14/h2-5H,12H2,1H3,(H,13,14)/b3-2-
InChIKeyVIAAJCDWXQNLKC-IHWYPQMZSA-N
MW227.65 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid

4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid (PubChem CID 67894642) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid
PubChem CID67894642
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid
SMILESC/C=C\Oc1cc(N)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-2-3-15-9-5-8(12)7(11)4-6(9)10(13)14/h2-5H,12H2,1H3,(H,13,14)/b3-2-
InChIKeyVIAAJCDWXQNLKC-IHWYPQMZSA-N
XLogP2.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
CID 14403895
4-amino-5-chloro-2-(methoxymethyl)benzoic acid
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sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
CID 159753052
methyl 4-amino-5-chloro-2-prop-2-enoxybenzoate
CID 14883224
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
2-chloro-5-prop-1-enylterephthalic acid
CID 172799910
3-amino-5-chloro-2,4-dimethoxybenzoic acid
CID 84695063
5-amino-4-chloro-2-cyanobenzoic acid
CID 171018667
2-amino-4,5-bis(trideuteriomethoxy)benzoic acid
CID 59662843
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid?
The IUPAC name of 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid (CID 67894642) is 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid.
What is the SMILES notation for 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid?
The canonical SMILES for 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid is C/C=C\Oc1cc(N)c(Cl)cc1C(=O)O.
What is the InChIKey of 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid?
The InChIKey is VIAAJCDWXQNLKC-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-2-3-15-9-5-8(12)7(11)4-6(9)10(13)14/h2-5H,12H2,1H3,(H,13,14)/b3-2-.
What are the key properties of 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid?
4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid has a molecular weight of 227.65 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-[(Z)-prop-1-enoxy]benzoic acid is sourced from PubChem (CID 67894642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).