AB45174
41667-95-2 | 5,6-Dichloronicotinic acid
Manufacturer: A2B Chem
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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
NscNumber
63885
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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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
NscNumber: 63885
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 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
NscNumber:
63885
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
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
NscNumber: __
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
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
NscNumber:
__
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
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
NscNumber: __
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 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
NscNumber:
__
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: AB45177
ChemicalName: 5,6-Dimethoxyindole-2-carboxylic acid
CasNumber: 88210-96-2
MolecularFormula: C11H11NO4
MolecularWeight: 221.2093
MdlNumber: MFCD00015459
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)O
NscNumber: __
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB45177
ChemicalName:
5,6-Dimethoxyindole-2-carboxylic acid
CasNumber:
88210-96-2
MolecularFormula:
C11H11NO4
MolecularWeight:
221.2093
MdlNumber:
MFCD00015459
Smiles:
COc1cc2[nH]c(cc2cc1OC)C(=O)O
NscNumber:
__
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.9