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3-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole

3-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole

CAS: 174790-35-3

Formula: C6H7BrN2

SMILES: BrC1=C2CCCN2N=C1

IUPAC: 3-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole

InChI: InChI=1S/C6H7BrN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2

Composition: C (38.53%), H (3.77%), Br (42.72%), N (14.98%)

Molar Mass: 187.04

Atom Count: 16

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.979261
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ASLSBGAOXZIHHP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.53
Topological Polar Surface Area 17.82
Polarizability 14.7
Ring Count 2
Rotatable Bond Count 0

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