5-Chloro-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 1780907-91-6
Catalog: |
BB013396 |
Product Name: |
5-Chloro-1H-benzo[d][1,3]oxazin-2(4H)-one |
CAS: |
1780907-91-6 |
Synonyms: |
5-chloro-1,4-dihydro-3,1-benzoxazin-2-one; 5-chloro-1,4-dihydro-3,1-benzoxazin-2-one |
IUPAC Name: | 5-chloro-1,4-dihydro-3,1-benzoxazin-2-one |
Description: | 5-Chloro-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 1780907-91-6 ) is a useful research chemical. |
Molecular Weight: | 183.59 |
Molecular Formula: | C8H6ClNO2 |
Canonical SMILES: | C1C2=C(C=CC=C2Cl)NC(=O)O1 |
InChI: | InChI=1S/C8H6ClNO2/c9-6-2-1-3-7-5(6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11) |
InChI Key: | QZDYSMPUCMWXSR-UHFFFAOYSA-N |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0087061 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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