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825619-18-9 | Benzenemethanol, 2,3-diamino-5-chloro-
CAS No: 825619-18-9 Catalog No: AG004YLQ MDL No:
Product Description
Catalog Number:
AG004YLQ
Chemical Name:
Benzenemethanol, 2,3-diamino-5-chloro-
CAS Number:
825619-18-9
Molecular Formula:
C7H9ClN2O
Molecular Weight:
172.6122
IUPAC Name:
(2,3-diamino-5-chlorophenyl)methanol
InChI:
InChI=1S/C7H9ClN2O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3,9-10H2
InChI Key:
NTOWKPSUYAZNNN-UHFFFAOYSA-N
SMILES:
OCc1cc(Cl)cc(c1N)N
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.612g/mol
Monoisotopic Mass:
172.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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