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113770-21-1 | 2H-1,4-Benzoxazine, 7-chloro-3,4-dihydro-
CAS No: 113770-21-1 Catalog No: AG0009MV MDL No:MFCD07364075
Product Description
Catalog Number:
AG0009MV
Chemical Name:
2H-1,4-Benzoxazine, 7-chloro-3,4-dihydro-
CAS Number:
113770-21-1
Molecular Formula:
C8H8ClNO
Molecular Weight:
169.6082
MDL Number:
MFCD07364075
IUPAC Name:
7-chloro-3,4-dihydro-2H-1,4-benzoxazine
InChI:
InChI=1S/C8H8ClNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChI Key:
AOVKRHZWXUMSLV-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)OCCN2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.608g/mol
Monoisotopic Mass:
169.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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