1H-1,3-benzodiazole-4-carboxylic acid

1H-1,3-benzodiazole-4-carboxylic acid

CAS: 46006-36-4

Formula: C8H6N2O2

SMILES: OC(=O)C1=C2N=CNC2=CC=C1

IUPAC: 1H-1,3-benzodiazole-4-carboxylic acid

InChI: InChI=1S/C8H6N2O2/c11-8(12)5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)

Composition: C (59.26%), H (3.73%), N (17.28%), O (19.73%)

Molar Mass: 162.148

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	162.042927441
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VVQNAFBGAWCMLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.22
Topological Polar Surface Area	65.98
Polarizability	16.98
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
99.24%	<7 Days	46006-36-4		$25.25-$504.90$25.25$92.57$166.43$316.03$504.90

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	46006-36-4		$480.00-$590.00$480.00$590.00

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	46006-36-4		$113.40-$425.25$113.40$425.25

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	46006-36-4		$23.96-$153.84$23.96$35.31$45.40$153.84

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	46006-36-4		$84.49-$251.33$84.49$251.33