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Home > Fluorides > 117321-74-1
117321-74-1 | 2H-1,4-Benzoxazine, 7,8-difluoro-3-methyl-
CAS No: 117321-74-1 Catalog No: AG000E47 MDL No:
Product Description
Catalog Number:
AG000E47
Chemical Name:
2H-1,4-Benzoxazine, 7,8-difluoro-3-methyl-
CAS Number:
117321-74-1
Molecular Formula:
C9H7F2NO
Molecular Weight:
183.1548
IUPAC Name:
7,8-difluoro-3-methyl-2H-1,4-benzoxazine
InChI:
InChI=1S/C9H7F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3H,4H2,1H3
InChI Key:
BLQUEQUJBDELIP-UHFFFAOYSA-N
SMILES:
CC1=Nc2c(OC1)c(F)c(cc2)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.158g/mol
Monoisotopic Mass:
183.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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