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Home > Bromides > 1272756-27-0
1272756-27-0 | Benzonitrile, 4-bromo-2,6-dinitro-
CAS No: 1272756-27-0 Catalog No: AG000WUP MDL No:MFCD18651707
Product Description
Catalog Number:
AG000WUP
Chemical Name:
Benzonitrile, 4-bromo-2,6-dinitro-
CAS Number:
1272756-27-0
Molecular Formula:
C7H2BrN3O4
Molecular Weight:
272.0125
MDL Number:
MFCD18651707
IUPAC Name:
4-bromo-2,6-dinitrobenzonitrile
InChI:
InChI=1S/C7H2BrN3O4/c8-4-1-6(10(12)13)5(3-9)7(2-4)11(14)15/h1-2H
InChI Key:
OHQZESXZJQEWMQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(cc(cc1[N+](=O)[O-])Br)[N+](=O)[O-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.923g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.014g/mol
Monoisotopic Mass:
270.923g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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