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ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate structure

CAS No:
14903-93-6
Formula:
C12H13N3O5S
Chemical Name:
ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Synonyms:
5-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-4-(5-nitro-2-thienyl)-2-oxo-,ethyl ester; 6-methyl-4-(5-nitro-thiophen-2-yl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester; 2-Oxo-6-methyl-5-ethoxycarbonyl-4-<5-nitro-thienyl-(2)>-1,2,3,4-tetrahydropyri-midin; ETHYL 4-METHYL-6-(5-NITROTHIOPHEN-2-YL)-2-OXO-3,6-DIHYDRO-1H-PYRIMIDINE-5-CARBOXYLATE;

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ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Basic Attributes

Molecular Weight：

311.31400

Exact Mass：

311.05759170 g/mol

NSC Number：

332467

DSSTox ID：

DTXSID70318528

Characteristics

PSA：

141.49000

XLogP3：

3.02810

Density：

1.39g/cm3

Boiling Point：

453.7ºC

Flash Point：

228.2ºC

Refractive Index：

1.58

Vapor Pressure：

2.03E-08mmHg at 25°C

Computed Properties

Molecular Weight:311.32
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:311.05759170
Monoisotopic Mass:311.05759170
Topological Polar Surface Area:142
Heavy Atom Count:21
Complexity:502
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Basic Attributes
Characteristics
Computed Properties
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