AD97531
82756-74-9 | 3,4-Dihydro-2H-1,4-benzoxazin-2-ylmethanol
Manufacturer: A2B Chem
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CatalogNumber
AD97531
ChemicalName
3,4-Dihydro-2H-1,4-benzoxazin-2-ylmethanol
CasNumber
82756-74-9
MolecularFormula
C9H11NO2
MolecularWeight
165.1891
MdlNumber
MFCD06200861
Smiles
OCC1CNc2c(O1)cccc2
Complexity
152
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AD97531
ChemicalName: 3,4-Dihydro-2H-1,4-benzoxazin-2-ylmethanol
CasNumber: 82756-74-9
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD06200861
Smiles: OCC1CNc2c(O1)cccc2
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AD97531
ChemicalName:
3,4-Dihydro-2H-1,4-benzoxazin-2-ylmethanol
CasNumber:
82756-74-9
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD06200861
Smiles:
OCC1CNc2c(O1)cccc2
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
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Smiles: Cc1cc(C)c2c(n1)nc1c(c2N)cccc1
Complexity: __
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Smiles:
Cc1cc(C)c2c(n1)nc1c(c2N)cccc1
Complexity:
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HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCCCC(=O)O)Cl)C1CCCC1
Complexity: __
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Smiles:
CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCCCC(=O)O)Cl)C1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: O=c1cc(c2c(o1)c(C)c(cc2)O)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1cc(c2c(o1)c(C)c(cc2)O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__