AA69619
142167-38-2 | 5-Bromo-4-chloro-2-hydroxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA69619
ChemicalName
5-Bromo-4-chloro-2-hydroxybenzoic acid
CasNumber
142167-38-2
MolecularFormula
C7H4BrClO3
MolecularWeight
251.4619
MdlNumber
MFCD09475899
Smiles
OC(=O)c1cc(Br)c(cc1O)Cl
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AA69619
ChemicalName: 5-Bromo-4-chloro-2-hydroxybenzoic acid
CasNumber: 142167-38-2
MolecularFormula: C7H4BrClO3
MolecularWeight: 251.4619
MdlNumber: MFCD09475899
Smiles: OC(=O)c1cc(Br)c(cc1O)Cl
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AA69619
ChemicalName:
5-Bromo-4-chloro-2-hydroxybenzoic acid
CasNumber:
142167-38-2
MolecularFormula:
C7H4BrClO3
MolecularWeight:
251.4619
MdlNumber:
MFCD09475899
Smiles:
OC(=O)c1cc(Br)c(cc1O)Cl
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AA69620
ChemicalName: 2-Hydroxy-5-trifluoromethylbenzonitrile
CasNumber: 142167-36-0
MolecularFormula: C8H4F3NO
MolecularWeight: 187.1187
MdlNumber: MFCD11213679
Smiles: N#Cc1cc(ccc1O)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AA69620
ChemicalName:
2-Hydroxy-5-trifluoromethylbenzonitrile
CasNumber:
142167-36-0
MolecularFormula:
C8H4F3NO
MolecularWeight:
187.1187
MdlNumber:
MFCD11213679
Smiles:
N#Cc1cc(ccc1O)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AA69621
ChemicalName: 3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
CasNumber: 142166-01-6
MolecularFormula: C10H11NO3
MolecularWeight: 193.1992
MdlNumber: MFCD11848180
Smiles: COC(=O)c1ccc2c(c1)OCCN2
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AA69621
ChemicalName:
3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
CasNumber:
142166-01-6
MolecularFormula:
C10H11NO3
MolecularWeight:
193.1992
MdlNumber:
MFCD11848180
Smiles:
COC(=O)c1ccc2c(c1)OCCN2
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AA69622
ChemicalName: Methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate
CasNumber: 142166-00-5
MolecularFormula: C10H9NO4
MolecularWeight: 207.1828
MdlNumber: MFCD07774184
Smiles: COC(=O)c1ccc2c(c1)OCC(=O)N2
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AA69622
ChemicalName:
Methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate
CasNumber:
142166-00-5
MolecularFormula:
C10H9NO4
MolecularWeight:
207.1828
MdlNumber:
MFCD07774184
Smiles:
COC(=O)c1ccc2c(c1)OCC(=O)N2
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7