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118-04-7 | 2-(3-Amino-4-chlorobenzoyl)benzoic acid
CAS No: 118-04-7 Catalog No: AG0038YK MDL No:MFCD00007672
Product Description
Catalog Number:
AG0038YK
Chemical Name:
2-(3-Amino-4-chlorobenzoyl)benzoic acid
CAS Number:
118-04-7
Molecular Formula:
C14H10ClNO3
Molecular Weight:
275.6871
MDL Number:
MFCD00007672
IUPAC Name:
2-(3-amino-4-chlorobenzoyl)benzoic acid
InChI:
InChI=1S/C14H10ClNO3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,16H2,(H,18,19)
InChI Key:
MQECGSWGDQIHHD-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1ccc(c(c1)N)Cl
EC Number:
204-230-4
NSC Number:
74496
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.688g/mol
Monoisotopic Mass:
275.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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