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180995-18-0 | 1,2-Benzenediol, 3-bromo-5-chloro-
CAS No: 180995-18-0 Catalog No: AG0022IR MDL No:MFCD23701700
Product Description
Catalog Number:
AG0022IR
Chemical Name:
1,2-Benzenediol, 3-bromo-5-chloro-
CAS Number:
180995-18-0
Molecular Formula:
C6H4BrClO2
Molecular Weight:
223.4518
MDL Number:
MFCD23701700
IUPAC Name:
3-bromo-5-chlorobenzene-1,2-diol
InChI:
InChI=1S/C6H4BrClO2/c7-4-1-3(8)2-5(9)6(4)10/h1-2,9-10H
InChI Key:
CZDVOQBFSGTTEI-UHFFFAOYSA-N
SMILES:
Clc1cc(O)c(c(c1)Br)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.908g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.45g/mol
Monoisotopic Mass:
221.908g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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