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methyl 2-amino-2-(4-bromophenyl)acetate hydrochloride

methyl 2-amino-2-(4-bromophenyl)acetate hydrochloride

CAS: 42718-20-7

Formula: C9H11BrClNO2

SMILES: Cl.COC(=O)C(N)C1=CC=C(Br)C=C1

IUPAC: methyl 2-amino-2-(4-bromophenyl)acetate hydrochloride

InChI: InChI=1/C9H10BrNO2.ClH/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;/h2-5,8H,11H2,1H3;1H

Composition: C (38.53%), H (3.95%), Br (28.48%), Cl (12.64%), N (4.99%), O (11.41%)

Molar Mass: 280.55

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 278.966169
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CSBFDIDFULVKDP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.75
Topological Polar Surface Area 52.32
Polarizability 20.98
Ring Count 1
Rotatable Bond Count 3

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