AF59589
4144-68-7 | 1,2,3-Benzotriazol-2-ylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AF59589
ChemicalName
1,2,3-Benzotriazol-2-ylacetic acid
CasNumber
4144-68-7
MolecularFormula
C8H7N3O2
MolecularWeight
177.1601
MdlNumber
MFCD01812492
Smiles
OC(=O)Cn1nc2c(n1)cccc2
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AF59589
ChemicalName: 1,2,3-Benzotriazol-2-ylacetic acid
CasNumber: 4144-68-7
MolecularFormula: C8H7N3O2
MolecularWeight: 177.1601
MdlNumber: MFCD01812492
Smiles: OC(=O)Cn1nc2c(n1)cccc2
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AF59589
ChemicalName:
1,2,3-Benzotriazol-2-ylacetic acid
CasNumber:
4144-68-7
MolecularFormula:
C8H7N3O2
MolecularWeight:
177.1601
MdlNumber:
MFCD01812492
Smiles:
OC(=O)Cn1nc2c(n1)cccc2
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
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Smiles: OC(=O)c1ccc2c(c1)c(C)c(n2C)C
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Smiles:
OC(=O)c1ccc2c(c1)c(C)c(n2C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1c(CNC2CCCC2)ccc(c1OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(CNC2CCCC2)ccc(c1OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__