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519018-50-9 | (2-Bromo-4-cyanophenoxy)acetic acid
CAS No: 519018-50-9 Catalog No: AG01EWBP MDL No:
Product Description
Catalog Number:
AG01EWBP
Chemical Name:
(2-Bromo-4-cyanophenoxy)acetic acid
CAS Number:
519018-50-9
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
IUPAC Name:
2-(2-bromo-4-cyanophenoxy)acetic acid
InChI:
InChI=1S/C9H6BrNO3/c10-7-3-6(4-11)1-2-8(7)14-5-9(12)13/h1-3H,5H2,(H,12,13)
InChI Key:
QBISRFMWUNGCDA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)OCC(=O)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.055g/mol
Monoisotopic Mass:
254.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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