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2-bromo-N-(thiophen-2-ylmethyl)propanamide

2-bromo-N-(thiophen-2-ylmethyl)propanamide

CAS: 1119451-50-1

Formula: C8H10BrNOS

SMILES: CC(Br)C(=O)NCC1=CC=CS1

IUPAC: 2-bromo-N-[(thiophen-2-yl)methyl]propanamide

InChI: InChI=1/C8H10BrNOS/c1-6(9)8(11)10-5-7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)

Composition: C (38.72%), H (4.06%), Br (32.20%), N (5.64%), O (6.45%), S (12.92%)

Molar Mass: 248.14

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 246.966648
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WQAIZKVMDOWXJF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.1
Topological Polar Surface Area 29.1
Polarizability 20.4
Ring Count 1
Rotatable Bond Count 3

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95% <2 Days 1119451-50-1 $101.60$101.60
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