AI41919

1864058-16-1 | Benzyl N-(oxan-3-yl)carbamate

Manufacturer: A2B Chem

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CatalogNumber

AI41919

ChemicalName

Benzyl N-(oxan-3-yl)carbamate

CasNumber

1864058-16-1

MolecularFormula

C13H17NO3

MolecularWeight

235.279

MdlNumber

MFCD29035364

Smiles

O=C(NC1CCCOC1)OCc1ccccc1

Complexity

239

Covalently-bondedUnitCount

1

HeavyAtomCount

17

HydrogenBondAcceptorCount

3

HydrogenBondDonorCount

1

RotatableBondCount

4

UndefinedAtomStereocenterCount

1

Xlogp3

1.8

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Show Difference

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A2B Chem

AI41919

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CatalogNumber:
AI41919

ChemicalName:
Benzyl N-(oxan-3-yl)carbamate

CasNumber:
1864058-16-1

MolecularFormula:
C13H17NO3

MolecularWeight:
235.279

MdlNumber:
MFCD29035364

Smiles:
O=C(NC1CCCOC1)OCc1ccccc1

Complexity:
239

Covalently-bondedUnitCount:
1

HeavyAtomCount:
17

HydrogenBondAcceptorCount:
3

HydrogenBondDonorCount:
1

RotatableBondCount:
4

UndefinedAtomStereocenterCount:
1

Xlogp3:
1.8

Img

A2B Chem

AI41920

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CatalogNumber:
AI41920

ChemicalName:
Ethyl 3-(2-bromophenyl)-3-cyanopropanoate

CasNumber:
1864058-19-4

MolecularFormula:
C12H12BrNO2

MolecularWeight:
282.1332

MdlNumber:
MFCD29035423

Smiles:
CCOC(=O)CC(c1ccccc1Br)C#N

Complexity:
284

Covalently-bondedUnitCount:
1

HeavyAtomCount:
16

HydrogenBondAcceptorCount:
3

HydrogenBondDonorCount:
__

RotatableBondCount:
5

UndefinedAtomStereocenterCount:
1

Xlogp3:
2.5

Img

A2B Chem

AI41921

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
CC(=O)Oc1cc2cc(Br)c(cc2cc1Br)O

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

UndefinedAtomStereocenterCount:
__

Xlogp3:
__

Img

A2B Chem

AI41924

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
O=C(OC(C)(C)C)NCCc1ccc(cn1)N.Cl.Cl

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

UndefinedAtomStereocenterCount:
__

Xlogp3:
__