methyl 6-bromo-1,2-benzoxazole-3-carboxylate

methyl 6-bromo-1,2-benzoxazole-3-carboxylate

CAS: 1123169-23-2

Formula: C9H6BrNO3

SMILES: COC(=O)C1=NOC2=CC(Br)=CC=C12

IUPAC: methyl 6-bromo-1,2-benzoxazole-3-carboxylate

InChI: InChI=1S/C9H6BrNO3/c1-13-9(12)8-6-3-2-5(10)4-7(6)14-11-8/h2-4H,1H3

Composition: C (42.22%), H (2.36%), Br (31.21%), N (5.47%), O (18.74%)

Molar Mass: 256.055

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	254.953106
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OAHWOZBMLUMQBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.1
Topological Polar Surface Area	52.33
Polarizability	21.17
Ring Count	2
Rotatable Bond Count	2

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