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175277-00-6 | 1H-Pyrazole-5-carbonyl chloride, 4-bromo-1-ethyl-3-methyl-
CAS No: 175277-00-6 Catalog No: AG0020RG MDL No:
Product Description
Catalog Number:
AG0020RG
Chemical Name:
1H-Pyrazole-5-carbonyl chloride, 4-bromo-1-ethyl-3-methyl-
CAS Number:
175277-00-6
Molecular Formula:
C7H8BrClN2O
Molecular Weight:
251.5082
IUPAC Name:
4-bromo-2-ethyl-5-methylpyrazole-3-carbonyl chloride
InChI:
InChI=1S/C7H8BrClN2O/c1-3-11-6(7(9)12)5(8)4(2)10-11/h3H2,1-2H3
InChI Key:
PRIQRBJWODQUPD-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1C(=O)Cl)Br)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.951g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.508g/mol
Monoisotopic Mass:
249.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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