1-Bromo-4-(bromomethyl)naphthalene - CAS 79996-99-9
Catalog: |
BB036443 |
Product Name: |
1-Bromo-4-(bromomethyl)naphthalene |
CAS: |
79996-99-9 |
Synonyms: |
1-bromo-4-(bromomethyl)naphthalene; 1-bromo-4-(bromomethyl)naphthalene |
IUPAC Name: | 1-bromo-4-(bromomethyl)naphthalene |
Description: | 1-Bromo-4-(bromomethyl)naphthalene (CAS# 79996-99-9) is a useful research chemical. |
Molecular Weight: | 299.99 |
Molecular Formula: | C11H8Br2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2Br)CBr |
InChI: | InChI=1S/C11H8Br2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,7H2 |
InChI Key: | FHXASJKBBLIBAQ-UHFFFAOYSA-N |
MDL: | MFCD07363811 |
LogP: | 4.49720 |
Publication Number | Title | Priority Date |
US-2020163953-A1 | Compounds for Inhibition of Alpha 4 Beta 7 Integrin | 20181030 |
WO-2020092401-A1 | COMPOUNDS FOR INHIBITION OF ALPHA 4β7 INTEGRIN | 20181030 |
TW-202033491-A | Compounds for inhibition of α4β7 integrin | 20181030 |
CN-112969504-A | Compounds for inhibiting alpha 4 beta 7 integrins | 20181030 |
EP-3873605-A1 | Compounds for inhibition of alpha4beta7 integrin | 20181030 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.89723 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.89928 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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