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5-chloro-3-methyl-1,2-benzoxazole

5-chloro-3-methyl-1,2-benzoxazole

CAS: 28909-34-4

Formula: C8H6ClNO

SMILES: CC1=NOC2=CC=C(Cl)C=C12

IUPAC: 5-chloro-3-methyl-1,2-benzoxazole

InChI: InChI=1S/C8H6ClNO/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3

Composition: C (57.33%), H (3.61%), Cl (21.15%), N (8.36%), O (9.55%)

Molar Mass: 167.59

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 167.0137915
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PHZBRZBTCWCSLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.22
Topological Polar Surface Area 26.03
Polarizability 17.46
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 28909-34-4 $106.95-$181.70$106.95$181.70
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