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ethyl 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate hydrochloride

ethyl 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate hydrochloride

CAS: 1432053-90-1

Formula: C11H13Cl2NO3

SMILES: Cl.CCOC(=O)C1CNC2=C(O1)C=CC(Cl)=C2

IUPAC: ethyl 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate hydrochloride

InChI: InChI=1/C11H12ClNO3.ClH/c1-2-15-11(14)10-6-13-8-5-7(12)3-4-9(8)16-10;/h3-5,10,13H,2,6H2,1H3;1H

Composition: C (47.50%), H (4.71%), Cl (25.49%), N (5.04%), O (17.26%)

Molar Mass: 278.13

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 277.0272487
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KGYYXCBSDUZCDI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.9
Topological Polar Surface Area 47.56
Polarizability 23.32
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
98% <10 Days 1432053-90-1 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1432053-90-1 $69.36-$300.12$69.36$121.06$300.12
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