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(3S)-3-amino-4-(4-bromophenyl)butanoic acid

(3S)-3-amino-4-(4-bromophenyl)butanoic acid

CAS: 270062-84-5

Formula: C10H12BrNO2

SMILES: N[C@H](CC(O)=O)CC1=CC=C(Br)C=C1

IUPAC: (3S)-3-amino-4-(4-bromophenyl)butanoic acid

InChI: InChI=1S/C10H12BrNO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1

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 DAUFDZAPQZNOGC-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.36
Topological Polar Surface Area 63.32
Polarizability 22.56
Ring Count 1
Rotatable Bond Count 4

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 270062-84-5 $129.60-$284.16$129.60$197.76$284.16
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