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methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate

methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate

CAS: 1217843-02-1

Formula: C9H9Cl2NO2

SMILES: COC(=O)[C@H](N)C1=CC(Cl)=C(Cl)C=C1

IUPAC: methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate

InChI: InChI=1S/C9H9Cl2NO2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,12H2,1H3/t8-/m1/s1

Composition: C (46.18%), H (3.88%), Cl (30.29%), N (5.98%), O (13.67%)

Molar Mass: 234.08

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 233.0010339
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LKSNQOTUSKXUBR-MRVPVSSYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.74
Topological Polar Surface Area 52.32
Polarizability 21.98
Ring Count 1
Rotatable Bond Count 3

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