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1321-05-7 | Benzoic acid, bromo-2-hydroxy-
CAS No: 1321-05-7 Catalog No: AG00107U MDL No:
Product Description
Catalog Number:
AG00107U
Chemical Name:
Benzoic acid, bromo-2-hydroxy-
CAS Number:
1321-05-7
Molecular Formula:
C7H5BrO3
Molecular Weight:
217.0168
IUPAC Name:
6-bromo-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
InChI:
InChI=1S/C7H7BrO3/c8-7(11)4-2-1-3-5(7)6(9)10/h1-5,11H,(H,9,10)
InChI Key:
IWJWHLRGMLXGPS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1O)Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.034g/mol
Monoisotopic Mass:
217.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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