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72635-78-0 | 3-Amino-4-bromobenzonitrile
CAS No: 72635-78-0 Catalog No: AG0039YX MDL No:MFCD11036380
Product Description
Catalog Number:
AG0039YX
Chemical Name:
3-Amino-4-bromobenzonitrile
CAS Number:
72635-78-0
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD11036380
IUPAC Name:
3-amino-4-bromobenzonitrile
InChI:
InChI=1S/C7H5BrN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2
InChI Key:
UAGGUNDAQDTCFW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)Br
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.964g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.035g/mol
Monoisotopic Mass:
195.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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