(2R,3R)-3-[(4-chlorophenyl)carbamoyl]-2,3-dihydroxypropanoic acid

(2R,3R)-3-[(4-chlorophenyl)carbamoyl]-2,3-dihydroxypropanoic acid

CAS: 17447-35-7

Formula: C10H10ClNO5

SMILES: O[C@H]([C@@H](O)C(=O)NC1=CC=C(Cl)C=C1)C(O)=O

IUPAC: (2R,3R)-3-[(4-chlorophenyl)carbamoyl]-2,3-dihydroxypropanoic acid

InChI: InChI=1S/C10H10ClNO5/c11-5-1-3-6(4-2-5)12-9(15)7(13)8(14)10(16)17/h1-4,7-8,13-14H,(H,12,15)(H,16,17)/t7-,8-/m1/s1

Composition: C (46.26%), H (3.88%), Cl (13.65%), N (5.39%), O (30.81%)

Molar Mass: 259.64

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	259.0247501
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
InChIKey	JLBJYGCSAOHRPK-HTQZYQBOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.3
Topological Polar Surface Area	106.86
Polarizability	22.74
Ring Count	1
Rotatable Bond Count	4

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