AB48168
773109-32-3 | 2-Amino-3-chloro-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48168
ChemicalName
2-Amino-3-chloro-5-nitrobenzoic acid
CasNumber
773109-32-3
MolecularFormula
C7H5ClN2O4
MolecularWeight
216.5786
MdlNumber
MFCD06208323
Smiles
[O-][N+](=O)c1cc(Cl)c(c(c1)C(=O)O)N
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB48168
ChemicalName: 2-Amino-3-chloro-5-nitrobenzoic acid
CasNumber: 773109-32-3
MolecularFormula: C7H5ClN2O4
MolecularWeight: 216.5786
MdlNumber: MFCD06208323
Smiles: [O-][N+](=O)c1cc(Cl)c(c(c1)C(=O)O)N
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB48168
ChemicalName:
2-Amino-3-chloro-5-nitrobenzoic acid
CasNumber:
773109-32-3
MolecularFormula:
C7H5ClN2O4
MolecularWeight:
216.5786
MdlNumber:
MFCD06208323
Smiles:
[O-][N+](=O)c1cc(Cl)c(c(c1)C(=O)O)N
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2C(=O)C[C@H]2[C@]1(C)CCC(=O)C2)C
Complexity: 756
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2C(=O)C[C@H]2[C@]1(C)CCC(=O)C2)C
Complexity:
756
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: AB48170
ChemicalName: Quinoxaline-5-sulfonyl chloride
CasNumber: 844646-88-4
MolecularFormula: C8H5ClN2O2S
MolecularWeight: 228.6555
MdlNumber: MFCD12827951
Smiles: ClS(=O)(=O)c1cccc2c1nccn2
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB48170
ChemicalName:
Quinoxaline-5-sulfonyl chloride
CasNumber:
844646-88-4
MolecularFormula:
C8H5ClN2O2S
MolecularWeight:
228.6555
MdlNumber:
MFCD12827951
Smiles:
ClS(=O)(=O)c1cccc2c1nccn2
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB48171
ChemicalName: (S)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester
CasNumber: 77215-55-5
MolecularFormula: C15H22N2O4
MolecularWeight: 294.3462
MdlNumber: MFCD09991588
Smiles: NC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 1.4
CatalogNumber:
AB48171
ChemicalName:
(S)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester
CasNumber:
77215-55-5
MolecularFormula:
C15H22N2O4
MolecularWeight:
294.3462
MdlNumber:
MFCD09991588
Smiles:
NC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
1.4