methanamine;phenyl carbonochloridate

C8H10ClNO2 — CID 91260916

IUPACmethanamine;phenyl carbonochloridate
SMILESCN.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C7H5ClO2.CH5N/c8-7(9)10-6-4-2-1-3-5-6;1-2/h1-5H;2H2,1H3
InChIKeyHHRHTTRMTILJFW-UHFFFAOYSA-N
MW187.63 g/mol
LogP2.00
Rot. Bonds1

About methanamine;phenyl carbonochloridate

methanamine;phenyl carbonochloridate (PubChem CID 91260916) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is methanamine;phenyl carbonochloridate.

Molecular Properties

Compound Namemethanamine;phenyl carbonochloridate
PubChem CID91260916
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Namemethanamine;phenyl carbonochloridate
SMILESCN.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C7H5ClO2.CH5N/c8-7(9)10-6-4-2-1-3-5-6;1-2/h1-5H;2H2,1H3
InChIKeyHHRHTTRMTILJFW-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

iron;phenyl carbonochloridate
CID 159914445
chloro acetate;phenyl carbonochloridate
CID 87652464
diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium
CID 161310154
2-cyanoprop-2-enoic acid;phenyl carbonochloridate
CID 174773350
diphenyl oxalate;ethane
CID 162013592
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl] carbonochloridate
CID 154479270
phenyl acetate;hydroiodide
CID 172788123
(4-carbamoylphenyl) carbonochloridate
CID 119084646
(Z)-2-chloro-3-phenoxybut-2-enediamide
CID 88704508
sodium;hydride;phenyl acetate
CID 159991718
diphenyl carbonate;ethane;molecular iodine
CID 159087497

Frequently Asked Questions

What is the IUPAC name of methanamine;phenyl carbonochloridate?
The IUPAC name of methanamine;phenyl carbonochloridate (CID 91260916) is methanamine;phenyl carbonochloridate.
What is the SMILES notation for methanamine;phenyl carbonochloridate?
The canonical SMILES for methanamine;phenyl carbonochloridate is CN.O=C(Cl)Oc1ccccc1.
What is the InChIKey of methanamine;phenyl carbonochloridate?
The InChIKey is HHRHTTRMTILJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2.CH5N/c8-7(9)10-6-4-2-1-3-5-6;1-2/h1-5H;2H2,1H3.
What are the key properties of methanamine;phenyl carbonochloridate?
methanamine;phenyl carbonochloridate has a molecular weight of 187.63 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;phenyl carbonochloridate is sourced from PubChem (CID 91260916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).