AB45173
55621-49-3 | 5,6-Diamino-1,3-dihydro-2h-benzoimidazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB45173
ChemicalName
5,6-Diamino-1,3-dihydro-2h-benzoimidazol-2-one
CasNumber
55621-49-3
MolecularFormula
C7H8N4O
MolecularWeight
164.1646
MdlNumber
MFCD00994340
Smiles
Nc1cc2[nH]c(=O)[nH]c2cc1N
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
4
Xlogp3
-0.8
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CatalogNumber: AB45173
ChemicalName: 5,6-Diamino-1,3-dihydro-2h-benzoimidazol-2-one
CasNumber: 55621-49-3
MolecularFormula: C7H8N4O
MolecularWeight: 164.1646
MdlNumber: MFCD00994340
Smiles: Nc1cc2[nH]c(=O)[nH]c2cc1N
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 4
Xlogp3: -0.8
CatalogNumber:
AB45173
ChemicalName:
5,6-Diamino-1,3-dihydro-2h-benzoimidazol-2-one
CasNumber:
55621-49-3
MolecularFormula:
C7H8N4O
MolecularWeight:
164.1646
MdlNumber:
MFCD00994340
Smiles:
Nc1cc2[nH]c(=O)[nH]c2cc1N
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
4
Xlogp3:
-0.8
CatalogNumber: AB45174
ChemicalName: 5,6-Dichloronicotinic acid
CasNumber: 41667-95-2
MolecularFormula: C6H3Cl2NO2
MolecularWeight: 191.9995
MdlNumber: MFCD00075181
Smiles: OC(=O)c1cnc(c(c1)Cl)Cl
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 2
CatalogNumber:
AB45174
ChemicalName:
5,6-Dichloronicotinic acid
CasNumber:
41667-95-2
MolecularFormula:
C6H3Cl2NO2
MolecularWeight:
191.9995
MdlNumber:
MFCD00075181
Smiles:
OC(=O)c1cnc(c(c1)Cl)Cl
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
2
CatalogNumber: AB45175
ChemicalName: 5,6-Difluoroisatin
CasNumber: 774-47-0
MolecularFormula: C8H3F2NO2
MolecularWeight: 183.1117
MdlNumber: MFCD02998377
Smiles: O=C1Nc2c(C1=O)cc(c(c2)F)F
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 1
CatalogNumber:
AB45175
ChemicalName:
5,6-Difluoroisatin
CasNumber:
774-47-0
MolecularFormula:
C8H3F2NO2
MolecularWeight:
183.1117
MdlNumber:
MFCD02998377
Smiles:
O=C1Nc2c(C1=O)cc(c(c2)F)F
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
1
CatalogNumber: AB45176
ChemicalName: 5,6-Dihydro-4H-pyran-2-carboxylic acid
CasNumber: 31518-14-6
MolecularFormula: C6H8O3
MolecularWeight: 128.1259
MdlNumber: MFCD08437234
Smiles: OC(=O)C1=CCCCO1
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 0.9
CatalogNumber:
AB45176
ChemicalName:
5,6-Dihydro-4H-pyran-2-carboxylic acid
CasNumber:
31518-14-6
MolecularFormula:
C6H8O3
MolecularWeight:
128.1259
MdlNumber:
MFCD08437234
Smiles:
OC(=O)C1=CCCCO1
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
0.9