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Home > Bromides > 1272321-97-7
1272321-97-7 | 1H-[1,4]Diazepino[1,7-a]benziMidazole, 8-broMo-2,3,4,5-tetrahydro-2-Methyl-
CAS No: 1272321-97-7 Catalog No: AG000WRX MDL No:
Product Description
Catalog Number:
AG000WRX
Chemical Name:
1H-[1,4]Diazepino[1,7-a]benziMidazole, 8-broMo-2,3,4,5-tetrahydro-2-Methyl-
CAS Number:
1272321-97-7
Molecular Formula:
C12H14BrN3
Molecular Weight:
280.1637
IUPAC Name:
8-bromo-2-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole
InChI:
InChI=1S/C12H14BrN3/c1-8-7-16-11-3-2-9(13)6-10(11)15-12(16)4-5-14-8/h2-3,6,8,14H,4-5,7H2,1H3
InChI Key:
QIDKMDYTFBXGRW-UHFFFAOYSA-N
SMILES:
CC1NCCc2n(C1)c1ccc(cc1n2)Br
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.169g/mol
Monoisotopic Mass:
279.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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