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3-bromo-7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

3-bromo-7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

CAS: 477848-53-6

Formula: C13H8BrClN4O2

SMILES: CC1=NN2C(N=CC=C2C2=CC(=C(Cl)C=C2)[N+]([O-])=O)=C1Br

IUPAC: 3-bromo-7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

InChI: InChI=1S/C13H8BrClN4O2/c1-7-12(14)13-16-5-4-10(18(13)17-7)8-2-3-9(15)11(6-8)19(20)21/h2-6H,1H3

Composition: C (42.48%), H (2.19%), Br (21.74%), Cl (9.64%), N (15.24%), O (8.70%)

Molar Mass: 367.59

Atom Count: 29

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 365.951916
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey JIRJGGGFAQLWRN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.13
Topological Polar Surface Area 73.33
Polarizability 31.76
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477848-53-6 $51.35-$524.40$51.35$63.37$86.31$524.40
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