6-Chloro-2-methylbenzoxazole - CAS 63816-18-2
Catalog: |
BB032289 |
Product Name: |
6-Chloro-2-methylbenzoxazole |
CAS: |
63816-18-2 |
Synonyms: |
6-chloro-2-methyl-1,3-benzoxazole; 6-chloro-2-methyl-1,3-benzoxazole |
IUPAC Name: | 6-chloro-2-methyl-1,3-benzoxazole |
Description: | 6-Chloro-2-methylbenzoxazole (CAS# 63816-18-2 ) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | CC1=NC2=C(O1)C=C(C=C2)Cl |
InChI: | InChI=1S/C8H6ClNO/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3 |
InChI Key: | LAZJZCLGDISMLM-UHFFFAOYSA-N |
Boiling Point: | 241.6 °C at 760 mmHg |
Density: | 1.311 g/cm3 |
LogP: | 2.78960 |
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Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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