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methyl (3S)-3-amino-3-(4-bromophenyl)propanoate hydrochloride

methyl (3S)-3-amino-3-(4-bromophenyl)propanoate hydrochloride

CAS: 1245606-63-6

Formula: C10H13BrClNO2

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

IUPAC: methyl (3S)-3-amino-3-(4-bromophenyl)propanoate hydrochloride

InChI: InChI=1S/C10H12BrNO2.ClH/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m0./s1

Composition: C (40.77%), H (4.45%), Br (27.13%), Cl (12.03%), N (4.76%), O (10.86%)

Molar Mass: 294.57

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 292.981819
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KCAPQHNPIIVGSF-FVGYRXGTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.38
Topological Polar Surface Area 52.32
Polarizability 22.79
Ring Count 1
Rotatable Bond Count 4

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