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AB07171

1975-52-6 | 2-Methyl-5-nitrobenzoic acid

Manufacturer: A2B Chem

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CatalogNumber

AB07171

ChemicalName

2-Methyl-5-nitrobenzoic acid

CasNumber

1975-52-6

MolecularFormula

C8H7NO4

MolecularWeight

181.14547999999996

MdlNumber

MFCD00007371

Smiles

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

Complexity

223

Covalently-bondedUnitCount

1

HeavyAtomCount

13

HydrogenBondAcceptorCount

4

HydrogenBondDonorCount

1

RotatableBondCount

1

Xlogp3

2.1

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A2B Chem

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CatalogNumber:

AB07171

ChemicalName:

2-Methyl-5-nitrobenzoic acid

CasNumber:

1975-52-6

MolecularFormula:

C8H7NO4

MolecularWeight:

181.14547999999996

MdlNumber:

MFCD00007371

Smiles:

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

Complexity:

223

Covalently-bondedUnitCount:

1

HeavyAtomCount:

13

HydrogenBondAcceptorCount:

4

HydrogenBondDonorCount:

1

RotatableBondCount:

1

Xlogp3:

2.1

A2B Chem

--

CatalogNumber:

AB07172

ChemicalName:

2-Methyl-4-nitrobenzoic acid

CasNumber:

1975-51-5

MolecularFormula:

C8H7NO4

MolecularWeight:

181.1455

MdlNumber:

MFCD00210697

Smiles:

OC(=O)c1ccc(cc1C)[N+](=O)[O-]

Complexity:

223

Covalently-bondedUnitCount:

1

HeavyAtomCount:

13

HydrogenBondAcceptorCount:

4

HydrogenBondDonorCount:

1

RotatableBondCount:

1

Xlogp3:

1.6

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC(=O)c1cccc(c1C)[N+](=O)[O-]

Complexity:

223

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

__

Xlogp3:

1.6

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

N#Cc1ccc2c(c1)cccc2C(=O)O

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__