3-[4-bromo-6-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]propan-1-ol

3-[4-bromo-6-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]propan-1-ol

CAS: 175135-16-7

Formula: C11H10BrF3N2O

SMILES: OCCCC1=NC2=C(Br)C=C(C=C2N1)C(F)(F)F

IUPAC: 3-[4-bromo-6-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]propan-1-ol

InChI: InChI=1S/C11H10BrF3N2O/c12-7-4-6(11(13,14)15)5-8-10(7)17-9(16-8)2-1-3-18/h4-5,18H,1-3H2,(H,16,17)

Composition: C (40.89%), H (3.12%), Br (24.73%), F (17.64%), N (8.67%), O (4.95%)

Molar Mass: 323.113

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	321.99286
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MBIDMDLISUPTFB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.16
Topological Polar Surface Area	48.91
Polarizability	24.83
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	175135-16-7		$2,200.00-$3,520.00$2,200.00$2,860.00$3,520.00