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Home > Bromides > 1445781-91-8
1445781-91-8 | 8-Quinazolinecarboxylic acid, 5-bromo-, methyl ester
CAS No: 1445781-91-8 Catalog No: AG001JRS MDL No:
Product Description
Catalog Number:
AG001JRS
Chemical Name:
8-Quinazolinecarboxylic acid, 5-bromo-, methyl ester
CAS Number:
1445781-91-8
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
IUPAC Name:
methyl 5-bromoquinazoline-8-carboxylate
InChI:
InChI=1S/C10H7BrN2O2/c1-15-10(14)6-2-3-8(11)7-4-12-5-13-9(6)7/h2-5H,1H3
InChI Key:
WBGTURPOYNRUKM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1ncnc2)Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.969g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.082g/mol
Monoisotopic Mass:
265.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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