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1750-47-6 | 2(3H)-Benzoxazolone, 5-chloro-6-methoxy-
CAS No: 1750-47-6 Catalog No: AG00203G MDL No:
Product Description
Catalog Number:
AG00203G
Chemical Name:
2(3H)-Benzoxazolone, 5-chloro-6-methoxy-
CAS Number:
1750-47-6
Molecular Formula:
C8H6ClNO3
Molecular Weight:
199.5911
IUPAC Name:
5-chloro-6-methoxy-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H6ClNO3/c1-12-6-3-7-5(2-4(6)9)10-8(11)13-7/h2-3H,1H3,(H,10,11)
InChI Key:
QQQYQWNSMUHSCK-UHFFFAOYSA-N
SMILES:
COc1cc2oc(=O)[nH]c2cc1Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.59g/mol
Monoisotopic Mass:
199.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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