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N-benzyl-2-bromobutanamide

N-benzyl-2-bromobutanamide

CAS: 126317-15-5

Formula: C11H14BrNO

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

IUPAC: N-benzyl-2-bromobutanamide

InChI: InChI=1/C11H14BrNO/c1-2-10(12)11(14)13-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)

Composition: C (51.58%), H (5.51%), Br (31.20%), N (5.47%), O (6.25%)

Molar Mass: 256.143

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 255.025877
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey SPCUANDFINTRDY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.73
Topological Polar Surface Area 29.1
Polarizability 23.41
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 126317-15-5 $81.28$81.28
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