AE11490
118054-57-2 | 1H-Pyrazole-3-acetic acid, HCl
Manufacturer: A2B Chem
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CatalogNumber
AE11490
ChemicalName
1H-Pyrazole-3-acetic acid, HCl
CasNumber
118054-57-2
MolecularFormula
C5H7ClN2O2
MolecularWeight
162.5743
MdlNumber
MFCD22201145
Smiles
OC(=O)Cc1cc[nH]n1.Cl
Complexity
116
Covalently-bondedUnitCount
2
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AE11490
ChemicalName: 1H-Pyrazole-3-acetic acid, HCl
CasNumber: 118054-57-2
MolecularFormula: C5H7ClN2O2
MolecularWeight: 162.5743
MdlNumber: MFCD22201145
Smiles: OC(=O)Cc1cc[nH]n1.Cl
Complexity: 116
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AE11490
ChemicalName:
1H-Pyrazole-3-acetic acid, HCl
CasNumber:
118054-57-2
MolecularFormula:
C5H7ClN2O2
MolecularWeight:
162.5743
MdlNumber:
MFCD22201145
Smiles:
OC(=O)Cc1cc[nH]n1.Cl
Complexity:
116
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(=O)O.NC1CCN(CC1C)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(=O)O.NC1CCN(CC1C)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AE11492
ChemicalName: 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline
CasNumber: 1127-85-1
MolecularFormula: C8H8Cl2N2
MolecularWeight: 203.0685
MdlNumber: MFCD12400774
Smiles: Clc1nc2CCCCc2c(n1)Cl
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AE11492
ChemicalName:
2,4-Dichloro-5,6,7,8-tetrahydroquinazoline
CasNumber:
1127-85-1
MolecularFormula:
C8H8Cl2N2
MolecularWeight:
203.0685
MdlNumber:
MFCD12400774
Smiles:
Clc1nc2CCCCc2c(n1)Cl
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)oc(c2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)oc(c2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__