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1-(3-bromophenyl)-3-methylpyrazole

1-(3-bromophenyl)-3-methylpyrazole

CAS: 70583-75-4

Formula: C10H9BrN2

SMILES: CC1=NN(C=C1)C1=CC=CC(Br)=C1

IUPAC: 1-(3-bromophenyl)-3-methyl-1H-pyrazole

InChI: InChI=1S/C10H9BrN2/c1-8-5-6-13(12-8)10-4-2-3-9(11)7-10/h2-7H,1H3

Composition: C (50.66%), H (3.83%), Br (33.70%), N (11.82%)

Molar Mass: 237.1

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 235.994911
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XRRUSQYHSMHEBF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.63
Topological Polar Surface Area 17.82
Polarizability 21.87
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 70583-75-4 $74.80-$704.99$74.80$138.38$415.14$704.99
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