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531508-46-0 | 2,2-difluoro-1,3-Benzodioxole-4-methanamine
CAS No: 531508-46-0 Catalog No: AG0033T5 MDL No:MFCD16617616
Product Description
Catalog Number:
AG0033T5
Chemical Name:
2,2-difluoro-1,3-Benzodioxole-4-methanamine
CAS Number:
531508-46-0
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD16617616
IUPAC Name:
(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine
InChI:
InChI=1S/C8H7F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H,4,11H2
InChI Key:
LZUWIFLVQKZUOO-UHFFFAOYSA-N
SMILES:
NCc1cccc2c1OC(O2)(F)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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