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2-amino-3-(3,5-dibromophenyl)propanoic acid

2-amino-3-(3,5-dibromophenyl)propanoic acid

CAS: 1259992-43-2

Formula: C9H9Br2NO2

SMILES: NC(CC1=CC(Br)=CC(Br)=C1)C(O)=O

IUPAC: 2-amino-3-(3,5-dibromophenyl)propanoic acid

InChI: InChI=1/C9H9Br2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)

Composition: C (33.47%), H (2.81%), Br (49.48%), N (4.34%), O (9.91%)

Molar Mass: 322.984

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 320.900005
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JDHBRWDIELMBHR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.36
Topological Polar Surface Area 63.32
Polarizability 23.81
Ring Count 1
Rotatable Bond Count 3

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