AI41021

1820735-46-3 | Methyl 6-(butylamino)-5-nitropyridine-3-carboxylate

Manufacturer: A2B Chem

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CatalogNumber

AI41021

ChemicalName

Methyl 6-(butylamino)-5-nitropyridine-3-carboxylate

CasNumber

1820735-46-3

MolecularFormula

C11H15N3O4

MolecularWeight

253.2545

MdlNumber

MFCD26523339

Smiles

CCCCNc1ncc(cc1[N+](=O)[O-])C(=O)OC

Complexity

293

Covalently-bondedUnitCount

1

HeavyAtomCount

18

HydrogenBondAcceptorCount

6

HydrogenBondDonorCount

1

RotatableBondCount

6

Xlogp3

2.7

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Show Difference

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A2B Chem

AI41021

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CatalogNumber:
AI41021

ChemicalName:
Methyl 6-(butylamino)-5-nitropyridine-3-carboxylate

CasNumber:
1820735-46-3

MolecularFormula:
C11H15N3O4

MolecularWeight:
253.2545

MdlNumber:
MFCD26523339

Smiles:
CCCCNc1ncc(cc1[N+](=O)[O-])C(=O)OC

Complexity:
293

Covalently-bondedUnitCount:
1

HeavyAtomCount:
18

HydrogenBondAcceptorCount:
6

HydrogenBondDonorCount:
1

RotatableBondCount:
6

Xlogp3:
2.7

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A2B Chem

AI41023

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CatalogNumber:
AI41023

ChemicalName:
N-(2-Cyanophenyl)-N-isopropylmethanesulfonamide

CasNumber:
1820735-49-6

MolecularFormula:
C11H14N2O2S

MolecularWeight:
238.3061

MdlNumber:
MFCD28127187

Smiles:
N#Cc1ccccc1N(S(=O)(=O)C)C(C)C

Complexity:
375

Covalently-bondedUnitCount:
1

HeavyAtomCount:
16

HydrogenBondAcceptorCount:
4

HydrogenBondDonorCount:
__

RotatableBondCount:
3

Xlogp3:
1.6

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A2B Chem

AI41025

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CatalogNumber:
AI41025

ChemicalName:
N-Butyl-3-[(hydrazinecarbonyl)methoxy]benzamide

CasNumber:
1820735-59-8

MolecularFormula:
C13H19N3O3

MolecularWeight:
265.3083

MdlNumber:
MFCD28369587

Smiles:
CCCCNC(=O)c1cccc(c1)OCC(=O)NN

Complexity:
297

Covalently-bondedUnitCount:
1

HeavyAtomCount:
19

HydrogenBondAcceptorCount:
4

HydrogenBondDonorCount:
3

RotatableBondCount:
7

Xlogp3:
1

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A2B Chem

AI41027

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
COCCCOc1cccc(c1Cl)Cl

Complexity:
155

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
3.4