AI61992
926249-10-7 | 2-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI61992
ChemicalName
2-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
CasNumber
926249-10-7
MolecularFormula
C12H13NO3
MolecularWeight
219.2365
MdlNumber
MFCD09046964
Smiles
O=C(C1CC1)Nc1c(C)cccc1C(=O)O
Complexity
299
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AI61992
ChemicalName: 2-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
CasNumber: 926249-10-7
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD09046964
Smiles: O=C(C1CC1)Nc1c(C)cccc1C(=O)O
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AI61992
ChemicalName:
2-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
CasNumber:
926249-10-7
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD09046964
Smiles:
O=C(C1CC1)Nc1c(C)cccc1C(=O)O
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c2c1nccc2)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c2c1nccc2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)C(=O)O)c1ccc(cc1)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)C(=O)O)c1ccc(cc1)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AI61995
ChemicalName: 2-Fluoro-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CasNumber: 926255-81-4
MolecularFormula: C14H8F4O3
MolecularWeight: 300.2051
MdlNumber: MFCD09042505
Smiles: OC(=O)c1cc(ccc1F)c1ccccc1OC(F)(F)F
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.4
CatalogNumber:
AI61995
ChemicalName:
2-Fluoro-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CasNumber:
926255-81-4
MolecularFormula:
C14H8F4O3
MolecularWeight:
300.2051
MdlNumber:
MFCD09042505
Smiles:
OC(=O)c1cc(ccc1F)c1ccccc1OC(F)(F)F
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.4