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

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

CAS: 1006464-43-2

Formula: C8H9BrN4

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

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

InChI: InChI=1S/C8H9BrN4/c1-5-6(4-13(2)12-5)8-7(9)3-10-11-8/h3-4H,1-2H3,(H,10,11)

Composition: C (39.86%), H (3.76%), Br (33.14%), N (23.24%)

Molar Mass: 241.092

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	240.001059
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BHJVEWYVTSPEPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.63
Topological Polar Surface Area	46.5
Polarizability	21.22
Ring Count	2
Rotatable Bond Count	1

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