7-Chloro-3,4-dihydro-2H-1,4-benzoxazine - CAS 113770-21-1
Catalog: |
BB003219 |
Product Name: |
7-Chloro-3,4-dihydro-2H-1,4-benzoxazine |
CAS: |
113770-21-1 |
Synonyms: |
7-chloro-3,4-dihydro-2H-1,4-benzoxazine; 7-chloro-3,4-dihydro-2H-1,4-benzoxazine |
IUPAC Name: | 7-chloro-3,4-dihydro-2H-1,4-benzoxazine |
Description: | 7-Chloro-3,4-dihydro-2H-1,4-benzoxazine (CAS# 113770-21-1) is a useful research chemical. |
Molecular Weight: | 169.61 |
Molecular Formula: | C8H8ClNO |
Canonical SMILES: | C1COC2=C(N1)C=CC(=C2)Cl |
InChI: | InChI=1S/C8H8ClNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2 |
InChI Key: | AOVKRHZWXUMSLV-UHFFFAOYSA-N |
MDL: | MFCD07364075 |
LogP: | 2.28230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020390759-A1 | Modulators of integrated stress response pathway | 20190612 |
WO-2020252205-A1 | Inhibitors of integrated stress response pathway | 20190612 |
AU-2018330423-A1 | Vasopressin receptor antagonists and products and methods related thereto | 20170905 |
CA-3072766-A1 | Vasopressin receptor antagonists and products and methods related thereto | 20170905 |
KR-20200051686-A | Vasopressin receptor antagonists and related products and methods | 20170905 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0294416 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 21.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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