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1260826-45-6 | Benzenemethanamine, 3-chloro-4,5-difluoro-
CAS No: 1260826-45-6 Catalog No: AG000REA MDL No:
Product Description
Catalog Number:
AG000REA
Chemical Name:
Benzenemethanamine, 3-chloro-4,5-difluoro-
CAS Number:
1260826-45-6
Molecular Formula:
C7H6ClF2N
Molecular Weight:
177.5790
IUPAC Name:
(3-chloro-4,5-difluorophenyl)methanamine
InChI:
InChI=1S/C7H6ClF2N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2
InChI Key:
UIPPQUMJLKNZIK-UHFFFAOYSA-N
SMILES:
NCc1cc(F)c(c(c1)Cl)F
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.016g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.579g/mol
Monoisotopic Mass:
177.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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