AI40971
1820717-31-4 | 7-Chloro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AI40971
ChemicalName
7-Chloro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
CasNumber
1820717-31-4
MolecularFormula
C8H6Cl2N2O2
MolecularWeight
233.0514
MdlNumber
MFCD28143976
Smiles
OC(=O)c1cc(Cl)c2c(c1)nc[nH]2.Cl
Complexity
224
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
1
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CatalogNumber: AI40971
ChemicalName: 7-Chloro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
CasNumber: 1820717-31-4
MolecularFormula: C8H6Cl2N2O2
MolecularWeight: 233.0514
MdlNumber: MFCD28143976
Smiles: OC(=O)c1cc(Cl)c2c(c1)nc[nH]2.Cl
Complexity: 224
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AI40971
ChemicalName:
7-Chloro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
CasNumber:
1820717-31-4
MolecularFormula:
C8H6Cl2N2O2
MolecularWeight:
233.0514
MdlNumber:
MFCD28143976
Smiles:
OC(=O)c1cc(Cl)c2c(c1)nc[nH]2.Cl
Complexity:
224
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=NCCOCC(=O)OC(C)(C)C
Complexity: 229
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=NCCOCC(=O)OC(C)(C)C
Complexity:
229
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1cccc(c1)c1ccc(cc1OC)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)Cc1cccc(c1)c1ccc(cc1OC)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1oc2c(n1)cc1c(c2)ncnc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1oc2c(n1)cc1c(c2)ncnc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__