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113495-45-7 | 2H-1,3-Benzoxazine, 4-chloro-2-methyl-
CAS No: 113495-45-7 Catalog No: AG0008RJ MDL No:
Product Description
Catalog Number:
AG0008RJ
Chemical Name:
2H-1,3-Benzoxazine, 4-chloro-2-methyl-
CAS Number:
113495-45-7
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
IUPAC Name:
4-chloro-2-methyl-2H-1,3-benzoxazine
InChI:
InChI=1S/C9H8ClNO/c1-6-11-9(10)7-4-2-3-5-8(7)12-6/h2-6H,1H3
InChI Key:
VNVDEPGJMYPVKH-UHFFFAOYSA-N
SMILES:
CC1Oc2ccccc2C(=N1)Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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