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123040-50-6 | 2H-1,4-Benzoxazine-8-carbonyl chloride, 6-chloro-3,4-dihydro-4-methyl-3-oxo-
CAS No: 123040-50-6 Catalog No: AG000JZO MDL No:
Product Description
Catalog Number:
AG000JZO
Chemical Name:
2H-1,4-Benzoxazine-8-carbonyl chloride, 6-chloro-3,4-dihydro-4-methyl-3-oxo-
CAS Number:
123040-50-6
Molecular Formula:
C10H7Cl2NO3
Molecular Weight:
260.0735
IUPAC Name:
6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carbonyl chloride
InChI:
InChI=1S/C10H7Cl2NO3/c1-13-7-3-5(11)2-6(10(12)15)9(7)16-4-8(13)14/h2-3H,4H2,1H3
InChI Key:
MVKAERBIXRCENX-UHFFFAOYSA-N
SMILES:
Clc1cc2N(C)C(=O)COc2c(c1)C(=O)Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.07g/mol
Monoisotopic Mass:
258.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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