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4-Ethoxycarbonyl-2-methylphenylisothiocyanate

4-Ethoxycarbonyl-2-methylphenylisothiocyanate structure

CAS No:
1027513-17-2
Formula:
C11H11NO2S
Chemical Name:
4-Ethoxycarbonyl-2-methylphenylisothiocyanate
Synonyms:
4-ethoxycarbonyl-2-methylphenylisothiocyanate;4-Ethoxycarbonyl-2-methylphenyl isothiocyanate;ethyl 4-isothiocyanato-3-methylbenzoate;DTXSID20653436;ZINC31829467;FS-5867

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4-Ethoxycarbonyl-2-methylphenylisothiocyanate Basic Attributes

Molecular Weight：

221.27554

Exact Mass：

221.051

DSSTox ID：

DTXSID20653436

Characteristics

PSA：

70.8

XLogP3：

3.9

Computed Properties

Molecular Weight:221.28
XLogP3:3.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:221.05104977
Monoisotopic Mass:221.05104977
Topological Polar Surface Area:70.8
Heavy Atom Count:15
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: propene; 40000/20; ammonium formate; benzyl bromide; ammonium sulfide formula; nitrite formula

Guide of 4-Ethoxycarbonyl-2-methylphenylisothiocyanate

Basic Attributes
Characteristics
Computed Properties

4-Ethoxycarbonyl-2-methylphenylisothiocyanate

SDS

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