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1000523-07-8 | Benzeneacetic acid, 2-chloro-3-fluoro-
CAS No: 1000523-07-8 Catalog No: AG0000OT MDL No:MFCD09925136
Product Description
Catalog Number:
AG0000OT
Chemical Name:
Benzeneacetic acid, 2-chloro-3-fluoro-
CAS Number:
1000523-07-8
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD09925136
IUPAC Name:
2-(2-chloro-3-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H6ClFO2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H,11,12)
InChI Key:
JNMBDAACHFCAKX-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1Cl)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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