4-Bromo-3,5-dimethylbenzonitrile - CAS 75344-77-3
Catalog: |
BB035301 |
Product Name: |
4-Bromo-3,5-dimethylbenzonitrile |
CAS: |
75344-77-3 |
Synonyms: |
4-bromo-3,5-dimethylbenzonitrile; 4-bromo-3,5-dimethylbenzonitrile |
IUPAC Name: | 4-bromo-3,5-dimethylbenzonitrile |
Description: | 4-Bromo-3,5-dimethylbenzonitrile (CAS# 75344-77-3) is a useful research chemical. |
Molecular Weight: | 210.07 |
Molecular Formula: | C9H8BrN |
Canonical SMILES: | CC1=CC(=CC(=C1Br)C)C#N |
InChI: | InChI=1S/C9H8BrN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3 |
InChI Key: | AVXHSMPHQGFXRG-UHFFFAOYSA-N |
Boiling Point: | 291.049 ℃ at 760 mmHg |
Density: | 1.446 g/cm3 |
MDL: | MFCD07369910 |
LogP: | 2.93758 |
GHS Hazard Statement: | H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P361, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021188936-A1 | Phd inhibitor compounds, compositions, and use | 20200320 |
WO-2021076890-A1 | INHIBITING HUMAN INTEGRIN α4β7 | 20191016 |
WO-2021076902-A1 | INHIBITING HUMAN INTEGRIN α 4 β 7 | 20191016 |
US-11104661-B1 | Inhibiting human integrin (α-4) (β-7) | 20191016 |
WO-2019220276-A1 | Organic compound, light-emitting element, light-emitting device, electronic apparatus, illumination device, and electronic device | 20180517 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.98401 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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