AB09587

20034-00-8 | (5-Nitro-1H-1,3-benzodiazol-2-yl)methanol

Manufacturer: A2B Chem

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CatalogNumber

AB09587

ChemicalName

(5-Nitro-1H-1,3-benzodiazol-2-yl)methanol

CasNumber

20034-00-8

MolecularFormula

C8H7N3O3

MolecularWeight

193.1595

MdlNumber

MFCD00462582

Smiles

OCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]

Complexity

230

Covalently-bondedUnitCount

1

HeavyAtomCount

14

HydrogenBondAcceptorCount

4

HydrogenBondDonorCount

2

RotatableBondCount

1

Xlogp3

0.9

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Show Difference

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A2B Chem

AB09587

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CatalogNumber:
AB09587

ChemicalName:
(5-Nitro-1H-1,3-benzodiazol-2-yl)methanol

CasNumber:
20034-00-8

MolecularFormula:
C8H7N3O3

MolecularWeight:
193.1595

MdlNumber:
MFCD00462582

Smiles:
OCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]

Complexity:
230

Covalently-bondedUnitCount:
1

HeavyAtomCount:
14

HydrogenBondAcceptorCount:
4

HydrogenBondDonorCount:
2

RotatableBondCount:
1

Xlogp3:
0.9

Img

A2B Chem

AB09588

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
OC(=O)c1ccc(cc1)N(S(=O)(=O)C)C

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
__

Img

A2B Chem

AB09590

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
OS(=O)(=O)CCCCS(=O)(=O)O.C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)[O-])N

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
__

Img

A2B Chem

AB09592

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
COc1ccc(cc1)c1ccc(s1)C#N

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
__