AA02098
1003709-96-3 | 2,3-Difluoro-5-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA02098
ChemicalName
2,3-Difluoro-5-methylbenzoic acid
CasNumber
1003709-96-3
MolecularFormula
C8H6F2O2
MolecularWeight
172.1288
MdlNumber
MFCD09835284
Smiles
Cc1cc(F)c(c(c1)C(=O)O)F
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AA02098
ChemicalName: 2,3-Difluoro-5-methylbenzoic acid
CasNumber: 1003709-96-3
MolecularFormula: C8H6F2O2
MolecularWeight: 172.1288
MdlNumber: MFCD09835284
Smiles: Cc1cc(F)c(c(c1)C(=O)O)F
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AA02098
ChemicalName:
2,3-Difluoro-5-methylbenzoic acid
CasNumber:
1003709-96-3
MolecularFormula:
C8H6F2O2
MolecularWeight:
172.1288
MdlNumber:
MFCD09835284
Smiles:
Cc1cc(F)c(c(c1)C(=O)O)F
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AA02099
ChemicalName: 2,4-Difluoro-3,5-dimethoxybenzoic acid
CasNumber: 1003709-80-5
MolecularFormula: C9H8F2O4
MolecularWeight: 218.1542
MdlNumber: MFCD09839225
Smiles: COc1cc(C(=O)O)c(c(c1F)OC)F
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AA02099
ChemicalName:
2,4-Difluoro-3,5-dimethoxybenzoic acid
CasNumber:
1003709-80-5
MolecularFormula:
C9H8F2O4
MolecularWeight:
218.1542
MdlNumber:
MFCD09839225
Smiles:
COc1cc(C(=O)O)c(c(c1F)OC)F
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
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Smiles: N#Cc1cc(F)c(cc1[N+](=O)[O-])C(=O)O
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Smiles:
N#Cc1cc(F)c(cc1[N+](=O)[O-])C(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(F)cc(c(c1F)F)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(F)cc(c(c1F)F)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__