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847818-48-8 | 4-Bromo-1-isopentyl-1H-pyrazole
CAS No: 847818-48-8 Catalog No: AG003KUZ MDL No:MFCD12026053
Product Description
Catalog Number:
AG003KUZ
Chemical Name:
4-Bromo-1-isopentyl-1H-pyrazole
CAS Number:
847818-48-8
Molecular Formula:
C8H13BrN2
Molecular Weight:
217.1062
MDL Number:
MFCD12026053
IUPAC Name:
4-bromo-1-(3-methylbutyl)pyrazole
InChI:
InChI=1S/C8H13BrN2/c1-7(2)3-4-11-6-8(9)5-10-11/h5-7H,3-4H2,1-2H3
InChI Key:
PSQJFVJRFQJOBI-UHFFFAOYSA-N
SMILES:
CC(CCn1ncc(c1)Br)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.11g/mol
Monoisotopic Mass:
216.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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