3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid

3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid

CAS: 130742-22-2

Formula: C5H4BrNO3

SMILES: CC1=C(C(O)=O)C(Br)=NO1

IUPAC: 3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid

InChI: InChI=1S/C5H4BrNO3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H,8,9)

Composition: C (29.15%), H (1.96%), Br (38.79%), N (6.80%), O (23.30%)

Molar Mass: 205.995

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.937456
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MWOSKCLDLLPNFA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.37
Topological Polar Surface Area	63.33
Polarizability	13.81
Ring Count	1
Rotatable Bond Count	1

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