3-{2-[2-(2-bromoacetamido)ethoxy]ethoxy}propanoic acid

3-{2-[2-(2-bromoacetamido)ethoxy]ethoxy}propanoic acid

CAS: 1415800-44-0

Formula: C9H16BrNO5

SMILES: OC(=O)CCOCCOCCNC(=O)CBr

IUPAC: 3-{2-[2-(2-bromoacetamido)ethoxy]ethoxy}propanoic acid

InChI: InChI=1S/C9H16BrNO5/c10-7-8(12)11-2-4-16-6-5-15-3-1-9(13)14/h1-7H2,(H,11,12)(H,13,14)

Composition: C (36.26%), H (5.41%), Br (26.80%), N (4.70%), O (26.83%)

Molar Mass: 298.133

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	297.021186
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	PIANHFIJCGRNCU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.97
Topological Polar Surface Area	84.86
Polarizability	23.53
Ring Count	0
Rotatable Bond Count	10

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