AB50031
398491-61-7 | tert-Butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1h,4h,6h)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB50031
ChemicalName
tert-Butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1h,4h,6h)-carboxylate
CasNumber
398491-61-7
MolecularFormula
C12H20N4O2
MolecularWeight
252.3128
MdlNumber
MFCD08275051
Smiles
O=C(N1Cc2c(C1(C)C)[nH]nc2N)OC(C)(C)C
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AB50031
ChemicalName: tert-Butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1h,4h,6h)-carboxylate
CasNumber: 398491-61-7
MolecularFormula: C12H20N4O2
MolecularWeight: 252.3128
MdlNumber: MFCD08275051
Smiles: O=C(N1Cc2c(C1(C)C)[nH]nc2N)OC(C)(C)C
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB50031
ChemicalName:
tert-Butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1h,4h,6h)-carboxylate
CasNumber:
398491-61-7
MolecularFormula:
C12H20N4O2
MolecularWeight:
252.3128
MdlNumber:
MFCD08275051
Smiles:
O=C(N1Cc2c(C1(C)C)[nH]nc2N)OC(C)(C)C
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: AB50032
ChemicalName: 4-hydroxy-3-methoxybenzaldehyde
CasNumber: 121-33-5
MolecularFormula: C8H8O3
MolecularWeight: 152.14732
MdlNumber: MFCD00006942
Smiles: COc1cc(C=O)ccc1O
Complexity: 135
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AB50032
ChemicalName:
4-hydroxy-3-methoxybenzaldehyde
CasNumber:
121-33-5
MolecularFormula:
C8H8O3
MolecularWeight:
152.14732
MdlNumber:
MFCD00006942
Smiles:
COc1cc(C=O)ccc1O
Complexity:
135
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: AB50033
ChemicalName: 5-Chloro-1,3-benzodioxol-4-amine
CasNumber: 379228-45-2
MolecularFormula: C7H6ClNO2
MolecularWeight: 171.581
MdlNumber: MFCD08275125
Smiles: Clc1ccc2c(c1N)OCO2
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AB50033
ChemicalName:
5-Chloro-1,3-benzodioxol-4-amine
CasNumber:
379228-45-2
MolecularFormula:
C7H6ClNO2
MolecularWeight:
171.581
MdlNumber:
MFCD08275125
Smiles:
Clc1ccc2c(c1N)OCO2
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: AB50034
ChemicalName: 3-Bromo-4-chloropyridine
CasNumber: 36953-42-1
MolecularFormula: C5H3BrClN
MolecularWeight: 192.441
MdlNumber: MFCD00234008
Smiles: Clc1ccncc1Br
Complexity: 78.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AB50034
ChemicalName:
3-Bromo-4-chloropyridine
CasNumber:
36953-42-1
MolecularFormula:
C5H3BrClN
MolecularWeight:
192.441
MdlNumber:
MFCD00234008
Smiles:
Clc1ccncc1Br
Complexity:
78.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2