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114076-35-6 | Benzenamine, 3,4-difluoro-2-methoxy-
CAS No: 114076-35-6 Catalog No: AG000AHK MDL No:MFCD07368889
Product Description
Catalog Number:
AG000AHK
Chemical Name:
Benzenamine, 3,4-difluoro-2-methoxy-
CAS Number:
114076-35-6
Molecular Formula:
C7H7F2NO
Molecular Weight:
159.1334
MDL Number:
MFCD07368889
IUPAC Name:
3,4-difluoro-2-methoxyaniline
InChI:
InChI=1S/C7H7F2NO/c1-11-7-5(10)3-2-4(8)6(7)9/h2-3H,10H2,1H3
InChI Key:
OHHHWQYSRANYIX-UHFFFAOYSA-N
SMILES:
COc1c(N)ccc(c1F)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:
159.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.136g/mol
Monoisotopic Mass:
159.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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