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CAS 212325-40-1

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CHEMISTRY

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Also known as: 212325-40-1, Methyl n-(3-fluoro-4-morpholin-4-ylphenyl)carbamate, (3-fluoro-4-morpholin-4-ylphenyl)carbamic acid methyl ester, Linezolidimpurity3, Schembl5216754, Ikisjvhyiwzbrx-uhfffaoysa-n

Molecular Formula

C₁₂H₁₅FN₂O₃

Molecular Weight

254.26 g/mol

InChI Key

IKISJVHYIWZBRX-UHFFFAOYSA-N

CAS 212325-40-1

1 2D Structure

CAS 212325-40-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

2.1.2 InChI

InChI=1S/C12H15FN2O3/c1-17-12(16)14-9-2-3-11(10(13)8-9)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,16)

2.1.3 InChI Key

IKISJVHYIWZBRX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)NC1=CC(=C(C=C1)N2CCOCC2)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 212325-40-1

2. Methyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

3. (3-fluoro-4-morpholin-4-ylphenyl)carbamic Acid Methyl Ester

4. Linezolidimpurity3

5. Schembl5216754

6. Ikisjvhyiwzbrx-uhfffaoysa-n

7. N-carbomethoxy-3-flouro-4-morpholinylaniline

8. N-carbomethoxy-3-fluoro-4-morpholinylaniline

9. Methyl (3-fluoro-4-morpholinophenyl)carbamate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₅FN₂O₃
Molecular Weight	254.26 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	50.8
Heavy Atom Count	18
Formal Charge	0
Complexity	285
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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