5-bromo-2-cyclopropyl-1,3-benzoxazole

5-bromo-2-cyclopropyl-1,3-benzoxazole

CAS: 915923-17-0

Formula: C10H8BrNO

SMILES: BrC1=CC=C2OC(=NC2=C1)C1CC1

IUPAC: 5-bromo-2-cyclopropyl-1,3-benzoxazole

InChI: InChI=1S/C10H8BrNO/c11-7-3-4-9-8(5-7)12-10(13-9)6-1-2-6/h3-6H,1-2H2

Composition: C (50.45%), H (3.39%), Br (33.56%), N (5.88%), O (6.72%)

Molar Mass: 238.084

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	236.978927
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JMMVKTYIPNMKOX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.19
Topological Polar Surface Area	26.03
Polarizability	21.29
Ring Count	3
Rotatable Bond Count	1

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