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115700-24-8 | Benzenamine, 3-chloro-4-(difluoromethoxy)-, hydrochloride (1:1)
CAS No: 115700-24-8 Catalog No: AG000GS1 MDL No:MFCD08447168
Product Description
Catalog Number:
AG000GS1
Chemical Name:
Benzenamine, 3-chloro-4-(difluoromethoxy)-, hydrochloride (1:1)
CAS Number:
115700-24-8
Molecular Formula:
C7H7Cl2F2NO
Molecular Weight:
230.0394
MDL Number:
MFCD08447168
IUPAC Name:
3-chloro-4-(difluoromethoxy)aniline;hydrochloride
InChI:
InChI=1S/C7H6ClF2NO.ClH/c8-5-3-4(11)1-2-6(5)12-7(9)10;/h1-3,7H,11H2;1H
InChI Key:
GSJYGXSDWZQIQN-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1Cl)N)F.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.036g/mol
Monoisotopic Mass:
228.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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