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124276-83-1 | Cyclopropanecarbonitrile, 1-(3-bromophenyl)-
CAS No: 124276-83-1 Catalog No: AG000LSB MDL No:MFCD07374414
Product Description
Catalog Number:
AG000LSB
Chemical Name:
Cyclopropanecarbonitrile, 1-(3-bromophenyl)-
CAS Number:
124276-83-1
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
MDL Number:
MFCD07374414
IUPAC Name:
1-(3-bromophenyl)cyclopropane-1-carbonitrile
InChI:
InChI=1S/C10H8BrN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChI Key:
VHNBUFCWKWBTIZ-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1cccc(c1)Br
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.085g/mol
Monoisotopic Mass:
220.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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