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2-{[(4-bromophenyl)methyl]amino}propanoic acid

2-{[(4-bromophenyl)methyl]amino}propanoic acid

Formula: C10H12BrNO2

SMILES: CC(NCC1=CC=C(Br)C=C1)C(O)=O

IUPAC: 2-{[(4-bromophenyl)methyl]amino}propanoic acid

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

Composition: C (46.53%), H (4.69%), Br (30.96%), N (5.43%), O (12.40%)

Molar Mass: 258.115

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 257.005142
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XFGUFUGHSLHQAE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.51
Topological Polar Surface Area 49.33
Polarizability 22.56
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C10H12BrNO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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