AX24314
1780843-50-6 | 2-Amino-8-bromoquinazoline-4-carboxylic acid
Manufacturer: A2B Chem
CAS Number: 1780843-50-6
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Catalog Number
AX24314
Chemical Name
2-Amino-8-bromoquinazoline-4-carboxylic acid
Cas Number
1780843-50-6
Molecular Formula
C9H6BrN3O2
Molecular Weight
268.0668
Mdl Number
MFCD31414467
Smiles
Nc1nc(C(=O)O)c2c(n1)c(Br)ccc2
Complexity
264
Covalently-Bonded Unit Count
1
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
2
Rotatable Bond Count
1
Xlogp3
1.7
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Catalog Number: AX24314
Chemical Name: 2-Amino-8-bromoquinazoline-4-carboxylic acid
Cas Number: 1780843-50-6
Molecular Formula: C9H6BrN3O2
Molecular Weight: 268.0668
Mdl Number: MFCD31414467
Smiles: Nc1nc(C(=O)O)c2c(n1)c(Br)ccc2
Complexity: 264
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 15
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 2
Rotatable Bond Count: 1
Xlogp3: 1.7
Catalog Number:
AX24314
Chemical Name:
2-Amino-8-bromoquinazoline-4-carboxylic acid
Cas Number:
1780843-50-6
Molecular Formula:
C9H6BrN3O2
Molecular Weight:
268.0668
Mdl Number:
MFCD31414467
Smiles:
Nc1nc(C(=O)O)c2c(n1)c(Br)ccc2
Complexity:
264
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Rotatable Bond Count:
1
Xlogp3:
1.7
Catalog Number: AX24315
Chemical Name: Methyl (Z)-(3-bromo-4-methyl-5-oxofuran-2(5H)-ylidene)ethanoate
Cas Number: 1451878-28-6
Molecular Formula: C8H7BrO4
Molecular Weight: 247.0428
Mdl Number: MFCD31801914
Smiles: COC(=O)/C=C/1OC(=O)C(=C1Br)C
Complexity: 327
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 4
Hydrogen Bond Donor Count: __
Rotatable Bond Count: 2
Xlogp3: 1.1
Catalog Number:
AX24315
Chemical Name:
Methyl (Z)-(3-bromo-4-methyl-5-oxofuran-2(5H)-ylidene)ethanoate
Cas Number:
1451878-28-6
Molecular Formula:
C8H7BrO4
Molecular Weight:
247.0428
Mdl Number:
MFCD31801914
Smiles:
COC(=O)/C=C/1OC(=O)C(=C1Br)C
Complexity:
327
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
2
Xlogp3:
1.1
Catalog Number: AX24316
Chemical Name: 3-cyclohexyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine
Cas Number: 1225561-77-2
Molecular Formula: C15H18FN3
Molecular Weight: 259.3219
Mdl Number: MFCD16332250
Smiles: Fc1ccc(cc1)n1nc(cc1N)C1CCCCC1
Complexity: 285
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 2
Xlogp3: 3.8
Catalog Number:
AX24316
Chemical Name:
3-cyclohexyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine
Cas Number:
1225561-77-2
Molecular Formula:
C15H18FN3
Molecular Weight:
259.3219
Mdl Number:
MFCD16332250
Smiles:
Fc1ccc(cc1)n1nc(cc1N)C1CCCCC1
Complexity:
285
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
2
Xlogp3:
3.8
Catalog Number: AX24317
Chemical Name: 1,2,3-Benzoxathiazine, 6-bromo-, 2,2-dioxide
Cas Number: 115540-65-3
Molecular Formula: C7H4BrNO3S
Molecular Weight: 262.0806
Mdl Number: MFCD18632973
Smiles: Brc1ccc2c(c1)C=NS(=O)(=O)O2
Complexity: 321
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 4
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: 1.7
Catalog Number:
AX24317
Chemical Name:
1,2,3-Benzoxathiazine, 6-bromo-, 2,2-dioxide
Cas Number:
115540-65-3
Molecular Formula:
C7H4BrNO3S
Molecular Weight:
262.0806
Mdl Number:
MFCD18632973
Smiles:
Brc1ccc2c(c1)C=NS(=O)(=O)O2
Complexity:
321
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
1.7