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42580-44-9 | 4-Amino-3-bromobenzaldehyde
CAS No: 42580-44-9 Catalog No: AG0071SZ MDL No:MFCD16620209
Product Description
Catalog Number:
AG0071SZ
Chemical Name:
4-Amino-3-bromobenzaldehyde
CAS Number:
42580-44-9
Molecular Formula:
C7H6BrNO
Molecular Weight:
200.0326
MDL Number:
MFCD16620209
IUPAC Name:
4-amino-3-bromobenzaldehyde
InChI:
InChI=1S/C7H6BrNO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H,9H2
InChI Key:
SHBYVHVNHYBESU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)N
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.963g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.035g/mol
Monoisotopic Mass:
198.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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