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165954-02-9 | 4-(7-Chloro-quinazolin-4-ylamino)-butyric acid
CAS No: 165954-02-9 Catalog No: AG01FA5I MDL No:
Product Description
Catalog Number:
AG01FA5I
Chemical Name:
4-(7-Chloro-quinazolin-4-ylamino)-butyric acid
CAS Number:
165954-02-9
Molecular Formula:
C12H12ClN3O2
Molecular Weight:
265.6956
IUPAC Name:
4-[(7-chloroquinazolin-4-yl)amino]butanoic acid
InChI:
InChI=1S/C12H12ClN3O2/c13-8-3-4-9-10(6-8)15-7-16-12(9)14-5-1-2-11(17)18/h3-4,6-7H,1-2,5H2,(H,17,18)(H,14,15,16)
InChI Key:
YMYCULVSFLOAHI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNc1ncnc2c1ccc(c2)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.697g/mol
Monoisotopic Mass:
265.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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