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887267-84-7 | 6-Bromo-2,2-difluorobenzo[d][1,3]dioxol-5-amine
CAS No: 887267-84-7 Catalog No: AG004534 MDL No:MFCD04972651
Product Description
Catalog Number:
AG004534
Chemical Name:
6-Bromo-2,2-difluorobenzo[d][1,3]dioxol-5-amine
CAS Number:
887267-84-7
Molecular Formula:
C7H4BrF2NO2
Molecular Weight:
252.0130
MDL Number:
MFCD04972651
IUPAC Name:
6-bromo-2,2-difluoro-1,3-benzodioxol-5-amine
InChI:
InChI=1S/C7H4BrF2NO2/c8-3-1-5-6(2-4(3)11)13-7(9,10)12-5/h1-2H,11H2
InChI Key:
ZKILVLUCVYGVMI-UHFFFAOYSA-N
SMILES:
Brc1cc2OC(Oc2cc1N)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.939g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.015g/mol
Monoisotopic Mass:
250.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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