4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole

4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole

CAS: 113841-59-1

Formula: C11H10BrNO

SMILES: CC1=NOC(=C1CBr)C1=CC=CC=C1

IUPAC: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole

InChI: InChI=1S/C11H10BrNO/c1-8-10(7-12)11(14-13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

Composition: C (52.41%), H (4.00%), Br (31.69%), N (5.56%), O (6.35%)

Molar Mass: 252.111

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	250.994577
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KCGVZUOBUPWFJC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.96
Topological Polar Surface Area	26.03
Polarizability	23.48
Ring Count	2
Rotatable Bond Count	2

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