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methyl 3-(2-chloroacetamido)-2-hydroxypropanoate

methyl 3-(2-chloroacetamido)-2-hydroxypropanoate

CAS: 1696665-38-9

Formula: C6H10ClNO4

SMILES: COC(=O)C(O)CNC(=O)CCl

IUPAC: methyl 3-(2-chloroacetamido)-2-hydroxypropanoate

InChI: InChI=1/C6H10ClNO4/c1-12-6(11)4(9)3-8-5(10)2-7/h4,9H,2-3H2,1H3,(H,8,10)

Composition: C (36.84%), H (5.15%), Cl (18.12%), N (7.16%), O (32.72%)

Molar Mass: 195.6

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 195.0298355
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KXDWXXOJYCTGEN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.01
Topological Polar Surface Area 75.63
Polarizability 16.47
Ring Count 0
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 1696665-38-9 $442.26-$1,701.00$442.26$850.50$1,701.00
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