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AB27734

251643-13-7 | Methyl 3-(methylamino)-4-nitrobenzoate

Manufacturer: A2B Chem

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CatalogNumber

AB27734

ChemicalName

Methyl 3-(methylamino)-4-nitrobenzoate

CasNumber

251643-13-7

MolecularFormula

C9H10N2O4

MolecularWeight

210.1867

MdlNumber

MFCD08689705

Smiles

COC(=O)c1ccc(c(c1)NC)[N+](=O)[O-]

Complexity

251

Covalently-bondedUnitCount

1

HeavyAtomCount

15

HydrogenBondAcceptorCount

5

HydrogenBondDonorCount

1

RotatableBondCount

3

Xlogp3

2.1

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A2B Chem

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CatalogNumber:

AB27734

ChemicalName:

Methyl 3-(methylamino)-4-nitrobenzoate

CasNumber:

251643-13-7

MolecularFormula:

C9H10N2O4

MolecularWeight:

210.1867

MdlNumber:

MFCD08689705

Smiles:

COC(=O)c1ccc(c(c1)NC)[N+](=O)[O-]

Complexity:

251

Covalently-bondedUnitCount:

1

HeavyAtomCount:

15

HydrogenBondAcceptorCount:

5

HydrogenBondDonorCount:

1

RotatableBondCount:

3

Xlogp3:

2.1

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

CCCC[Sn](c1scc(n1)C)(CCCC)CCCC

Complexity:

213

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCCNC(=N)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)N

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

Brc1ccc(nc1)NC=C1C(=O)OC(OC1=O)(C)C

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__