AG68186
592542-51-3 | 2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG68186
ChemicalName
2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid
CasNumber
592542-51-3
MolecularFormula
C10H11NO7S
MolecularWeight
289.2618
MdlNumber
MFCD04972549
Smiles
COc1ccc(cc1[N+](=O)[O-])CS(=O)(=O)CC(=O)O
Complexity
436
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
0.5
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CatalogNumber: AG68186
ChemicalName: 2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid
CasNumber: 592542-51-3
MolecularFormula: C10H11NO7S
MolecularWeight: 289.2618
MdlNumber: MFCD04972549
Smiles: COc1ccc(cc1[N+](=O)[O-])CS(=O)(=O)CC(=O)O
Complexity: 436
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 0.5
CatalogNumber:
AG68186
ChemicalName:
2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid
CasNumber:
592542-51-3
MolecularFormula:
C10H11NO7S
MolecularWeight:
289.2618
MdlNumber:
MFCD04972549
Smiles:
COc1ccc(cc1[N+](=O)[O-])CS(=O)(=O)CC(=O)O
Complexity:
436
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
0.5
CatalogNumber: AG68187
ChemicalName: 4-Amino-3,5-dibromobenzonitrile
CasNumber: 58633-04-8
MolecularFormula: C7H4Br2N2
MolecularWeight: 275.9281
MdlNumber: MFCD03094688
Smiles: N#Cc1cc(Br)c(c(c1)Br)N
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AG68187
ChemicalName:
4-Amino-3,5-dibromobenzonitrile
CasNumber:
58633-04-8
MolecularFormula:
C7H4Br2N2
MolecularWeight:
275.9281
MdlNumber:
MFCD03094688
Smiles:
N#Cc1cc(Br)c(c(c1)Br)N
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(o1)Cl
Complexity: 125
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(o1)Cl
Complexity:
125
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc(nc1)C1CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc(nc1)C1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__