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1172851-61-4 | Quinazoline, 4-chloro-6-iodo-7-methoxy-
CAS No: 1172851-61-4 Catalog No: AG000E1F MDL No:MFCD12973651
Product Description
Catalog Number:
AG000E1F
Chemical Name:
Quinazoline, 4-chloro-6-iodo-7-methoxy-
CAS Number:
1172851-61-4
Molecular Formula:
C9H6ClIN2O
Molecular Weight:
320.5142
MDL Number:
MFCD12973651
IUPAC Name:
4-chloro-6-iodo-7-methoxyquinazoline
InChI:
InChI=1S/C9H6ClIN2O/c1-14-8-3-7-5(2-6(8)11)9(10)13-4-12-7/h2-4H,1H3
InChI Key:
VGUHUPXWUUVYHC-UHFFFAOYSA-N
SMILES:
COc1cc2ncnc(c2cc1I)Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.921g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.514g/mol
Monoisotopic Mass:
319.921g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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