Compound C9H16ClN3O7

1-(2-chloroethyl)-1-nitroso-3-[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]urea

CAS: 81428-46-8

Molecular Formula	`C9H16ClN3O7`
Molecular Weight	313.69 g/mol
LogP	-0.7
Topological Polar Surface Area	152.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	313.0677
Heavy Atoms	20
Complexity	348.0

Chemical Identifiers

CAS Number	81428-46-8
SMILES	`C(CCl)N(C(=O)NC1C(C(OC(C1O)O)CO)O)N=O`
InChIKey	`ZKTZGYZXXCOLPV-UKPHHSARSA-N`

📖 Product Overview

Compound C9H16ClN3O7 (CAS: 81428-46-8) is a chemical compound with molecular formula C9H16ClN3O7 and molecular weight 313.69 g/mol. Its IUPAC systematic name is 1-(2-chloroethyl)-1-nitroso-3-[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]urea. LogP -0.7 Topological Polar Surface Area 152.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 313.0677 Heavy Atoms 20 Complexity 348.0 InChI Key: ZKTZGYZXXCOLPV-UKPHHSARSA-N. SMILES: C(CCl)N(C(=O)NC1C(C(OC(C1O)O)CO)O)N=O.

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