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2-amino-3-(4-bromophenyl)-2-methylpropanoic acid

2-amino-3-(4-bromophenyl)-2-methylpropanoic acid

CAS: 1226225-68-8

Formula: C10H12BrNO2

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

IUPAC: 2-amino-3-(4-bromophenyl)-2-methylpropanoic acid

InChI: InChI=1/C10H12BrNO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(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 PEGRPUVDOKWERK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.45
Topological Polar Surface Area 63.32
Polarizability 22.56
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1226225-68-8 $631.35-$4,597.70$631.35$1,147.70$4,597.70
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