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101329-82-2 | Benzenemethanol, 5-amino-2-chloro-4-fluoro-
CAS No: 101329-82-2 Catalog No: AG00048B MDL No:MFCD17168711
Product Description
Catalog Number:
AG00048B
Chemical Name:
Benzenemethanol, 5-amino-2-chloro-4-fluoro-
CAS Number:
101329-82-2
Molecular Formula:
C7H7ClFNO
Molecular Weight:
175.5880
MDL Number:
MFCD17168711
IUPAC Name:
(5-amino-2-chloro-4-fluorophenyl)methanol
InChI:
InChI=1S/C7H7ClFNO/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2,11H,3,10H2
InChI Key:
QEXZLRPDTPQYHC-UHFFFAOYSA-N
SMILES:
OCc1cc(N)c(cc1Cl)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.587g/mol
Monoisotopic Mass:
175.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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