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1750-45-4 | 2(3H)-Benzoxazolone, 5-chloro-6-hydroxy-
CAS No: 1750-45-4 Catalog No: AG00203H MDL No:MFCD00143502
Product Description
Catalog Number:
AG00203H
Chemical Name:
2(3H)-Benzoxazolone, 5-chloro-6-hydroxy-
CAS Number:
1750-45-4
Molecular Formula:
C7H4ClNO3
Molecular Weight:
185.5646
MDL Number:
MFCD00143502
IUPAC Name:
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)
InChI Key:
AGLXDWOTVQZHIQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(o1)cc(c(c2)Cl)O
UNII:
M5YLT4Y73F
NSC Number:
24955
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.563g/mol
Monoisotopic Mass:
184.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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