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Home > Aldehydes > 127248-99-1
127248-99-1 | Benzaldehyde, 3-amino-, hydrochloride (1:1)
CAS No: 127248-99-1 Catalog No: AG000WSX MDL No:MFCD00050694
Product Description
Catalog Number:
AG000WSX
Chemical Name:
Benzaldehyde, 3-amino-, hydrochloride (1:1)
CAS Number:
127248-99-1
Molecular Formula:
C7H8ClNO
Molecular Weight:
157.5975
MDL Number:
MFCD00050694
IUPAC Name:
3-aminobenzaldehyde;hydrochloride
InChI:
InChI=1S/C7H7NO.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-5H,8H2;1H
InChI Key:
NEJGVPCLWKFJJL-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)N.Cl
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.029g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.597g/mol
Monoisotopic Mass:
157.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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