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Also known as: 1024120-52-2, 4-bromo-1-(1-ethoxy-ethyl)-1h-pyrazole, 4-bromo-1-(1-ethoxyethyl)pyrazole, C7h11brn2o, 1h-pyrazole, 4-bromo-1-(1-ethoxyethyl)-, Schembl1300155
Molecular Formula
C7H11BrN2O
Molecular Weight
219.08  g/mol
InChI Key
DZXRSNUJYPTUFF-UHFFFAOYSA-N

CAS 1024120-52-2
1 2D Structure

CAS 1024120-52-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-1-(1-ethoxyethyl)pyrazole
2.1.2 InChI
InChI=1S/C7H11BrN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
2.1.3 InChI Key
DZXRSNUJYPTUFF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(C)N1C=C(C=N1)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1024120-52-2

2. 4-bromo-1-(1-ethoxy-ethyl)-1h-pyrazole

3. 4-bromo-1-(1-ethoxyethyl)pyrazole

4. C7h11brn2o

5. 1h-pyrazole, 4-bromo-1-(1-ethoxyethyl)-

6. Schembl1300155

7. Bcp14318

8. Mfcd22543653

9. Akos027323832

10. Da-16215

11. Cs-0006270

12. Ft-0742665

13. D96532

2.3 Create Date
2005-09-16
3 Chemical and Physical Properties
Molecular Weight 219.08 g/mol
Molecular Formula C7H11BrN2O
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area27
Heavy Atom Count11
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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