AB48037
850375-11-0 | 3-(1H-Pyrazol-3-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48037
ChemicalName
3-(1H-Pyrazol-3-yl)benzoic acid
CasNumber
850375-11-0
MolecularFormula
C10H8N2O2
MolecularWeight
188.1827
MdlNumber
MFCD03407956
Smiles
OC(=O)c1cccc(c1)c1ccn[nH]1
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB48037
ChemicalName: 3-(1H-Pyrazol-3-yl)benzoic acid
CasNumber: 850375-11-0
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD03407956
Smiles: OC(=O)c1cccc(c1)c1ccn[nH]1
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB48037
ChemicalName:
3-(1H-Pyrazol-3-yl)benzoic acid
CasNumber:
850375-11-0
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD03407956
Smiles:
OC(=O)c1cccc(c1)c1ccn[nH]1
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl
Complexity: 242
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl
Complexity:
242
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AB48039
ChemicalName: (4-Bromopyridin-2-yl)methanamine
CasNumber: 865156-50-9
MolecularFormula: C6H7BrN2
MolecularWeight: 187.0372
MdlNumber: MFCD07374903
Smiles: NCc1cc(Br)ccn1
Complexity: 87.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB48039
ChemicalName:
(4-Bromopyridin-2-yl)methanamine
CasNumber:
865156-50-9
MolecularFormula:
C6H7BrN2
MolecularWeight:
187.0372
MdlNumber:
MFCD07374903
Smiles:
NCc1cc(Br)ccn1
Complexity:
87.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: AB48040
ChemicalName: Methyl 2-amino-6-fluorobenzoate
CasNumber: 86505-94-4
MolecularFormula: C8H8FNO2
MolecularWeight: 169.153
MdlNumber: MFCD01763810
Smiles: COC(=O)c1c(N)cccc1F
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB48040
ChemicalName:
Methyl 2-amino-6-fluorobenzoate
CasNumber:
86505-94-4
MolecularFormula:
C8H8FNO2
MolecularWeight:
169.153
MdlNumber:
MFCD01763810
Smiles:
COC(=O)c1c(N)cccc1F
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7