2-(Difluoromethoxy)bromobenzene - CAS 175278-33-8
Catalog: |
BB013120 |
Product Name: |
2-(Difluoromethoxy)bromobenzene |
CAS: |
175278-33-8 |
Synonyms: |
1-bromo-2-(difluoromethoxy)benzene; 1-bromo-2-(difluoromethoxy)benzene |
IUPAC Name: | 1-bromo-2-(difluoromethoxy)benzene |
Description: | 2-(Difluoromethoxy)bromobenzene (CAS# 175278-33-8) is a useful research chemical. |
Molecular Weight: | 223.01 |
Molecular Formula: | C7H5BrF2O |
Canonical SMILES: | C1=CC=C(C(=C1)OC(F)F)Br |
InChI: | InChI=1S/C7H5BrF2O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H |
InChI Key: | VHEICCMNYWNFQX-UHFFFAOYSA-N |
Boiling Point: | 85 °C (15 torr) |
Density: | 1.582 g/cm3 |
MDL: | MFCD00221468 |
LogP: | 3.05050 |
GHS Hazard Statement: | H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021041671-A1 | Kras g12d inhibitors | 20190829 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
WO-2020084492-A1 | Inhibitors of human immunodeficiency virus replication | 20181024 |
TW-202031261-A | Inhibitors of human immunodeficiency virus replication | 20181024 |
US-2020360384-A1 | Inhibitors of human immunodeficiency virus replication | 20181024 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.94918 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.94918 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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