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175137-56-1 | 1H-Pyrazole-1-acetic acid, 4-bromo-3,5-dimethyl-, hydrazide
CAS No: 175137-56-1 Catalog No: AG0020BF MDL No:MFCD00173770
Product Description
Catalog Number:
AG0020BF
Chemical Name:
1H-Pyrazole-1-acetic acid, 4-bromo-3,5-dimethyl-, hydrazide
CAS Number:
175137-56-1
Molecular Formula:
C7H11BrN4O
Molecular Weight:
247.0924
MDL Number:
MFCD00173770
IUPAC Name:
2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide
InChI:
InChI=1S/C7H11BrN4O/c1-4-7(8)5(2)12(11-4)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13)
InChI Key:
CIJCDTVASLBRFQ-UHFFFAOYSA-N
SMILES:
NNC(=O)Cn1nc(c(c1C)Br)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.096g/mol
Monoisotopic Mass:
246.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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