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116615-34-0 | Benzoyl chloride, 2,6-dihydroxy-
CAS No: 116615-34-0 Catalog No: AG000CVB MDL No:
Product Description
Catalog Number:
AG000CVB
Chemical Name:
Benzoyl chloride, 2,6-dihydroxy-
CAS Number:
116615-34-0
Molecular Formula:
C7H5ClO3
Molecular Weight:
172.5658
IUPAC Name:
2,6-dihydroxybenzoyl chloride
InChI:
InChI=1S/C7H5ClO3/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3,9-10H
InChI Key:
WLHJZNPBSYWJSI-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(O)cccc1O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.993g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.564g/mol
Monoisotopic Mass:
171.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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