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1009600-87-6 | 2-(6,8-Dibromo-quinazolin-4-ylamino)-propionic acid
CAS No: 1009600-87-6 Catalog No: AG01F8NO MDL No:
Product Description
Catalog Number:
AG01F8NO
Chemical Name:
2-(6,8-Dibromo-quinazolin-4-ylamino)-propionic acid
CAS Number:
1009600-87-6
Molecular Formula:
C11H9Br2N3O2
Molecular Weight:
375.0161
IUPAC Name:
2-[(6,8-dibromoquinazolin-4-yl)amino]propanoic acid
InChI:
InChI=1S/C11H9Br2N3O2/c1-5(11(17)18)16-10-7-2-6(12)3-8(13)9(7)14-4-15-10/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChI Key:
NXMDQDPMQXUDRC-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c(ncn2)NC(C(=O)O)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.904g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.02g/mol
Monoisotopic Mass:
372.906g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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