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3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde

3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde

CAS: 696646-49-8

Formula: C10H7BrN2O

SMILES: BrC1=CC=CC(=C1)C1=NNC=C1C=O

IUPAC: 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde

InChI: InChI=1S/C10H7BrN2O/c11-9-3-1-2-7(4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)

Composition: C (47.84%), H (2.81%), Br (31.82%), N (11.16%), O (6.37%)

Molar Mass: 251.083

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 249.974176
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YMIUREILNBMIQQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.72
Topological Polar Surface Area 45.75
Polarizability 22.72
Ring Count 2
Rotatable Bond Count 2

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