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88168-04-1 | Aziridine, 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-
CAS No: 88168-04-1 Catalog No: AG004DAT MDL No:
Product Description
Catalog Number:
AG004DAT
Chemical Name:
Aziridine, 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-
CAS Number:
88168-04-1
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
IUPAC Name:
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]aziridine
InChI:
InChI=1S/C10H10BrNO2/c11-8-4-10-9(13-6-14-10)3-7(8)5-12-1-2-12/h3-4H,1-2,5-6H2
InChI Key:
RFPISFRFSUQXDT-UHFFFAOYSA-N
SMILES:
Brc1cc2OCOc2cc1CN1CC1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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