AG17856
54778-20-0 | 2-Chloro-1H-indole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG17856
ChemicalName
2-Chloro-1H-indole-3-carboxylic acid
CasNumber
54778-20-0
MolecularFormula
C9H6ClNO2
MolecularWeight
195.6024
MdlNumber
MFCD01719046
Smiles
OC(=O)c1c(Cl)[nH]c2c1cccc2
NscNumber
234525
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AG17856
ChemicalName: 2-Chloro-1H-indole-3-carboxylic acid
CasNumber: 54778-20-0
MolecularFormula: C9H6ClNO2
MolecularWeight: 195.6024
MdlNumber: MFCD01719046
Smiles: OC(=O)c1c(Cl)[nH]c2c1cccc2
NscNumber: 234525
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AG17856
ChemicalName:
2-Chloro-1H-indole-3-carboxylic acid
CasNumber:
54778-20-0
MolecularFormula:
C9H6ClNO2
MolecularWeight:
195.6024
MdlNumber:
MFCD01719046
Smiles:
OC(=O)c1c(Cl)[nH]c2c1cccc2
NscNumber:
234525
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AG17857
ChemicalName: 4-Bromo-1-methyl-3-(trifluoromethyl)pyrazole
CasNumber: 497832-99-2
MolecularFormula: C5H4BrF3N2
MolecularWeight: 228.9979
MdlNumber: MFCD04115415
Smiles: Cn1cc(c(n1)C(F)(F)F)Br
NscNumber: __
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AG17857
ChemicalName:
4-Bromo-1-methyl-3-(trifluoromethyl)pyrazole
CasNumber:
497832-99-2
MolecularFormula:
C5H4BrF3N2
MolecularWeight:
228.9979
MdlNumber:
MFCD04115415
Smiles:
Cn1cc(c(n1)C(F)(F)F)Br
NscNumber:
__
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AG17858
ChemicalName: 4-Chloro-5-methylthieno[2,3-d]pyrimidine
CasNumber: 43088-67-1
MolecularFormula: C7H5ClN2S
MolecularWeight: 184.646
MdlNumber: MFCD00205201
Smiles: Cc1csc2c1c(Cl)ncn2
NscNumber: 153315
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
AG17858
ChemicalName:
4-Chloro-5-methylthieno[2,3-d]pyrimidine
CasNumber:
43088-67-1
MolecularFormula:
C7H5ClN2S
MolecularWeight:
184.646
MdlNumber:
MFCD00205201
Smiles:
Cc1csc2c1c(Cl)ncn2
NscNumber:
153315
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1nc(C)cc(=O)[nH]1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1nc(C)cc(=O)[nH]1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__