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ethyl 2-(3-chloropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

ethyl 2-(3-chloropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure

CAS No:
314244-45-6
Formula:
C15H20ClNO3S
Chemical Name:
ethyl 2-(3-chloropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Synonyms:
F0745-0080; ethyl 2-[(3-chloropropanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate; UPCMLD0ENAT0513-5697:001;

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ethyl 2-(3-chloropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Basic Attributes

Molecular Weight：

329.84200

Exact Mass：

329.0852424

DSSTox ID：

DTXSID00392114

Characteristics

PSA：

83.64000

XLogP3：

3.83410

Density：

1.274g/cm3

Boiling Point：

543.6ºC at 760 mmHg

Flash Point：

282.6ºC

Refractive Index：

1.58

Computed Properties

Molecular Weight:329.8
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:329.0852424
Monoisotopic Mass:329.0852424
Topological Polar Surface Area:83.6
Heavy Atom Count:21
Complexity:380
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-(3-chloropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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