AB40395
305381-67-3 | 1-Methylbenzotriazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB40395
ChemicalName
1-Methylbenzotriazole-5-carboxylic acid
CasNumber
305381-67-3
MolecularFormula
C8H7N3O2
MolecularWeight
177.1601
MdlNumber
MFCD03086163
Smiles
OC(=O)c1ccc2c(c1)nnn2C
Complexity
221
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AB40395
ChemicalName: 1-Methylbenzotriazole-5-carboxylic acid
CasNumber: 305381-67-3
MolecularFormula: C8H7N3O2
MolecularWeight: 177.1601
MdlNumber: MFCD03086163
Smiles: OC(=O)c1ccc2c(c1)nnn2C
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB40395
ChemicalName:
1-Methylbenzotriazole-5-carboxylic acid
CasNumber:
305381-67-3
MolecularFormula:
C8H7N3O2
MolecularWeight:
177.1601
MdlNumber:
MFCD03086163
Smiles:
OC(=O)c1ccc2c(c1)nnn2C
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccnc(c1)N1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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Smiles:
N#Cc1ccnc(c1)N1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Clc1ccc(cc1)C(c1c(C)[nH]c2c1cccc2)Nc1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
Clc1ccc(cc1)C(c1c(C)[nH]c2c1cccc2)Nc1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C(CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__