AE25271
100129-68-8 | 2-[(2-Chloroethyl)amino]ethyl benzoate HCl
Manufacturer: A2B Chem
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CatalogNumber
AE25271
ChemicalName
2-[(2-Chloroethyl)amino]ethyl benzoate HCl
CasNumber
100129-68-8
MolecularFormula
C11H15Cl2NO2
MolecularWeight
264.1483
MdlNumber
MFCD26523331
Smiles
ClCCNCCOC(=O)c1ccccc1.Cl
NscNumber
72399
Complexity
181
Covalently-bondedUnitCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
7
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CatalogNumber: AE25271
ChemicalName: 2-[(2-Chloroethyl)amino]ethyl benzoate HCl
CasNumber: 100129-68-8
MolecularFormula: C11H15Cl2NO2
MolecularWeight: 264.1483
MdlNumber: MFCD26523331
Smiles: ClCCNCCOC(=O)c1ccccc1.Cl
NscNumber: 72399
Complexity: 181
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 7
CatalogNumber:
AE25271
ChemicalName:
2-[(2-Chloroethyl)amino]ethyl benzoate HCl
CasNumber:
100129-68-8
MolecularFormula:
C11H15Cl2NO2
MolecularWeight:
264.1483
MdlNumber:
MFCD26523331
Smiles:
ClCCNCCOC(=O)c1ccccc1.Cl
NscNumber:
72399
Complexity:
181
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
7
CatalogNumber: AE25272
ChemicalName: Methyl 4-(propane-1-sulfonamido)benzoate
CasNumber: 1153069-71-6
MolecularFormula: C11H15NO4S
MolecularWeight: 257.3061
MdlNumber: MFCD12487828
Smiles: CCCS(=O)(=O)Nc1ccc(cc1)C(=O)OC
NscNumber: __
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
CatalogNumber:
AE25272
ChemicalName:
Methyl 4-(propane-1-sulfonamido)benzoate
CasNumber:
1153069-71-6
MolecularFormula:
C11H15NO4S
MolecularWeight:
257.3061
MdlNumber:
MFCD12487828
Smiles:
CCCS(=O)(=O)Nc1ccc(cc1)C(=O)OC
NscNumber:
__
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
CatalogNumber: AE25273
ChemicalName: 3-(2-Methylphenyl)pyrazole-5-carboxylic acid
CasNumber: 1140528-29-5
MolecularFormula: C11H10N2O2
MolecularWeight: 202.2093
MdlNumber: MFCD08059586
Smiles: Cc1ccccc1c1[nH]nc(c1)C(=O)O
NscNumber: __
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AE25273
ChemicalName:
3-(2-Methylphenyl)pyrazole-5-carboxylic acid
CasNumber:
1140528-29-5
MolecularFormula:
C11H10N2O2
MolecularWeight:
202.2093
MdlNumber:
MFCD08059586
Smiles:
Cc1ccccc1c1[nH]nc(c1)C(=O)O
NscNumber:
__
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: AE25274
ChemicalName: 6-Chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CasNumber: 1082837-97-5
MolecularFormula: C9H10ClNO
MolecularWeight: 183.6348
MdlNumber: MFCD11603432
Smiles: CC1CNc2c(O1)ccc(c2)Cl
NscNumber: __
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AE25274
ChemicalName:
6-Chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CasNumber:
1082837-97-5
MolecularFormula:
C9H10ClNO
MolecularWeight:
183.6348
MdlNumber:
MFCD11603432
Smiles:
CC1CNc2c(O1)ccc(c2)Cl
NscNumber:
__
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__