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4-bromo-1'-methyl-1H-3,4'-bipyrazole

4-bromo-1'-methyl-1H-3,4'-bipyrazole

CAS: 925146-38-9

Formula: C7H7BrN4

SMILES: CN1C=C(C=N1)C1=NNC=C1Br

IUPAC: 4-bromo-1'-methyl-1H,1'H-3,4'-bipyrazole

InChI: InChI=1S/C7H7BrN4/c1-12-4-5(2-10-12)7-6(8)3-9-11-7/h2-4H,1H3,(H,9,11)

Composition: C (37.03%), H (3.11%), Br (35.19%), N (24.67%)

Molar Mass: 227.065

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 225.985409
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KFDMAELXRTZPPX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.04
Topological Polar Surface Area 46.5
Polarizability 19.48
Ring Count 2
Rotatable Bond Count 1

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