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3-(2-nitrophenyl)sulfanylpentane-2,4-dione

3-(2-nitrophenyl)sulfanylpentane-2,4-dione structure

CAS No:
22805-28-3
Formula:
C11H11NO4S
Chemical Name:
3-(2-nitrophenyl)sulfanylpentane-2,4-dione
Synonyms:
22805-28-3;CBMicro_013125;3-(2-nitro-phenylsulfanyl)-pentane-2,4-dione;SMSF0004040;AKOS001030262;ZINC101403245;CB02656;MCULE-1175154336;BIM-0013128.P001;3-[(2-Nitrophenyl)thio]pentane-2,4-dione;J3.522.012G;3-[(2-nitrophenyl)sulfanyl]pentane-2,4-dione;SR-01000197439;SR-01000197439-1;Z56759106

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3-(2-nitrophenyl)sulfanylpentane-2,4-dione Basic Attributes

Molecular Weight：

253.28 g/mol

Exact Mass：

253.04087901 g/mol

Characteristics

PSA：

105 Å²

XLogP3：

2.7567

Melting Point：

140 °C (ethanol)

Computed Properties

Molecular Weight:253.28
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:253.04087901
Monoisotopic Mass:253.04087901
Topological Polar Surface Area:105
Heavy Atom Count:17
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2-nitrophenyl)sulfanylpentane-2,4-dione

Basic Attributes
Characteristics
Computed Properties

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