1-Bromo-4-isobutylbenzene - CAS 2051-99-2
Catalog: |
BB016037 |
Product Name: |
1-Bromo-4-isobutylbenzene |
CAS: |
2051-99-2 |
Synonyms: |
1-bromo-4-(2-methylpropyl)benzene; 1-bromo-4-(2-methylpropyl)benzene |
IUPAC Name: | 1-bromo-4-(2-methylpropyl)benzene |
Description: | 1-Bromo-4-isobutylbenzene (CAS# 2051-99-2) is a useful research chemical. |
Molecular Weight: | 213.11 |
Molecular Formula: | C10H13Br |
Canonical SMILES: | CC(C)CC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C10H13Br/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3 |
InChI Key: | BVBHVVRVSMBCPW-UHFFFAOYSA-N |
Boiling Point: | 237 ℃ at 760 mmHg |
Density: | 1.24 g/cm3 |
MDL: | MFCD03425886 |
LogP: | 3.64760 |
Publication Number | Title | Priority Date |
CN-110642669-A | Preparation method of para-substituted bromobenzene | 20191009 |
EP-3786156-A1 | 10h-phenothiazine ferroptosis inhibitor and preparation method therefor and application thereof | 20180427 |
WO-2019158572-A1 | Inhibitors of trpc6 | 20180215 |
US-2020399282-A1 | Inhibitors of trpc6 | 20180215 |
WO-2019136093-A1 | Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof | 20180102 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.02006 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.02006 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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