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3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid hydrochloride

3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid hydrochloride

CAS: 1965308-80-8

Formula: C9H10ClNO3

SMILES: Cl.OC(=O)C1COC2=CC=CC=C2N1

IUPAC: 3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid hydrochloride

InChI: InChI=1/C9H9NO3.ClH/c11-9(12)7-5-13-8-4-2-1-3-6(8)10-7;/h1-4,7,10H,5H2,(H,11,12);1H

Composition: C (50.13%), H (4.67%), Cl (16.44%), N (6.50%), O (22.26%)

Molar Mass: 215.63

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 215.0349209
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FRADRYFXGWXRLO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.58
Topological Polar Surface Area 58.56
Polarizability 17.5
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 1965308-80-8 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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