3-(3-bromophenyl)-1H-pyrazole-4-carboxylic acid

3-(3-bromophenyl)-1H-pyrazole-4-carboxylic acid

CAS: 879996-70-0

Formula: C10H7BrN2O2

SMILES: OC(=O)C1=CNN=C1C1=CC(Br)=CC=C1

IUPAC: 3-(3-bromophenyl)-1H-pyrazole-4-carboxylic acid

InChI: InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)

Composition: C (44.97%), H (2.64%), Br (29.92%), N (10.49%), O (11.98%)

Molar Mass: 267.082

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	265.96909
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HXZRKWVFIZVNLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.39
Topological Polar Surface Area	65.98
Polarizability	23.22
Ring Count	2
Rotatable Bond Count	2

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