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AF00300

153775-42-9 | 4-Cyano-3-nitrobenzoic acid

Manufacturer: A2B Chem

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CatalogNumber

AF00300

ChemicalName

4-Cyano-3-nitrobenzoic acid

CasNumber

153775-42-9

MolecularFormula

C8H4N2O4

MolecularWeight

192.1284

MdlNumber

MFCD16876894

Smiles

N#Cc1ccc(cc1[N+](=O)[O-])C(=O)O

Complexity

300

Covalently-bondedUnitCount

1

HeavyAtomCount

14

HydrogenBondAcceptorCount

5

HydrogenBondDonorCount

1

RotatableBondCount

1

Xlogp3

1.5

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A2B Chem

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CatalogNumber:

AF00300

ChemicalName:

4-Cyano-3-nitrobenzoic acid

CasNumber:

153775-42-9

MolecularFormula:

C8H4N2O4

MolecularWeight:

192.1284

MdlNumber:

MFCD16876894

Smiles:

N#Cc1ccc(cc1[N+](=O)[O-])C(=O)O

Complexity:

300

Covalently-bondedUnitCount:

1

HeavyAtomCount:

14

HydrogenBondAcceptorCount:

5

HydrogenBondDonorCount:

1

RotatableBondCount:

1

Xlogp3:

1.5

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

N[C@H](C(=O)O)CS.OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

CC(=CCOC(=O)C)C=O

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)NC(=O)C

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__