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1024120-52-2 | 1H-Pyrazole, 4-broMo-1-(1-ethoxyethyl)-
CAS No: 1024120-52-2 Catalog No: AG0007E8 MDL No:MFCD22543653
Product Description
Catalog Number:
AG0007E8
Chemical Name:
1H-Pyrazole, 4-broMo-1-(1-ethoxyethyl)-
CAS Number:
1024120-52-2
Molecular Formula:
C7H11BrN2O
Molecular Weight:
219.0790
MDL Number:
MFCD22543653
IUPAC Name:
4-bromo-1-(1-ethoxyethyl)pyrazole
InChI:
InChI=1S/C7H11BrN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
InChI Key:
DZXRSNUJYPTUFF-UHFFFAOYSA-N
SMILES:
CC(n1cc(cn1)Br)OCC
EC Number:
692-014-4
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.082g/mol
Monoisotopic Mass:
218.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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