nitrous acid;2-phosphanyloxybenzoic acid

C7H8NO5P — CID 174720888

IUPACnitrous acid;2-phosphanyloxybenzoic acid
SMILESO=C(O)c1ccccc1OP.O=NO
InChIInChI=1S/C7H7O3P.HNO2/c8-7(9)5-3-1-2-4-6(5)10-11;2-1-3/h1-4H,11H2,(H,8,9);(H,2,3)
InChIKeyOMTACZJNRFKEKM-UHFFFAOYSA-N
MW217.12 g/mol
LogP1.70
Rot. Bonds2

About nitrous acid;2-phosphanyloxybenzoic acid

nitrous acid;2-phosphanyloxybenzoic acid (PubChem CID 174720888) has the molecular formula C7H8NO5P and a molecular weight of 217.12 g/mol. Its IUPAC name is nitrous acid;2-phosphanyloxybenzoic acid.

Molecular Properties

Compound Namenitrous acid;2-phosphanyloxybenzoic acid
PubChem CID174720888
Molecular FormulaC7H8NO5P
Molecular Weight217.12 g/mol
Exact Mass217.01
IUPAC Namenitrous acid;2-phosphanyloxybenzoic acid
SMILESO=C(O)c1ccccc1OP.O=NO
InChIInChI=1S/C7H7O3P.HNO2/c8-7(9)5-3-1-2-4-6(5)10-11;2-1-3/h1-4H,11H2,(H,8,9);(H,2,3)
InChIKeyOMTACZJNRFKEKM-UHFFFAOYSA-N
XLogP1.70
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-phosphanyloxybenzoic acid
CID 58402798
2-hydroxybenzoic acid;nitrous acid
CID 157117402
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-phosphorosooxybenzoic acid
CID 69277449
2-[dibromo-(2-carboxyphenoxy)methoxy]benzoic acid
CID 142693324
2-sulfooxybenzoic acid;sulfuric acid
CID 68615389
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
2-acetylsulfanyloxybenzoic acid
CID 22009573
carbonoperoxoic acid;phthalic acid
CID 87562877
2-methanehydrazonoyloxybenzoic acid
CID 70116086
2-fluorosulfonyloxybenzoic acid
CID 130224552
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426

Frequently Asked Questions

What is the IUPAC name of nitrous acid;2-phosphanyloxybenzoic acid?
The IUPAC name of nitrous acid;2-phosphanyloxybenzoic acid (CID 174720888) is nitrous acid;2-phosphanyloxybenzoic acid.
What is the SMILES notation for nitrous acid;2-phosphanyloxybenzoic acid?
The canonical SMILES for nitrous acid;2-phosphanyloxybenzoic acid is O=C(O)c1ccccc1OP.O=NO.
What is the InChIKey of nitrous acid;2-phosphanyloxybenzoic acid?
The InChIKey is OMTACZJNRFKEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O3P.HNO2/c8-7(9)5-3-1-2-4-6(5)10-11;2-1-3/h1-4H,11H2,(H,8,9);(H,2,3).
What are the key properties of nitrous acid;2-phosphanyloxybenzoic acid?
nitrous acid;2-phosphanyloxybenzoic acid has a molecular weight of 217.12 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;2-phosphanyloxybenzoic acid is sourced from PubChem (CID 174720888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).