Home Halogens 4-bromo-1-(2-phenylethyl)-1H-pyrazole

4-bromo-1-(2-phenylethyl)-1H-pyrazole

CAS No.:
261948-25-8
Catalog Number:
AG019RSP
Molecular Formula:
C11H11BrN2
Molecular Weight:
251.1224
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Product Description
Catalog Number:
AG019RSP
Chemical Name:
4-bromo-1-(2-phenylethyl)-1H-pyrazole
CAS Number:
261948-25-8
Molecular Formula:
C11H11BrN2
Molecular Weight:
251.1224
MDL Number:
MFCD12824330
IUPAC Name:
4-bromo-1-(2-phenylethyl)pyrazole
InChI:
InChI=1S/C11H11BrN2/c12-11-8-13-14(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChI Key:
UKNXOODQHSSASK-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)CCc1ccccc1
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.011g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.127g/mol
Monoisotopic Mass:
250.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties